SCHEMBL29512554

SCHEMBL29512554

O=S(=O)(O)CCc1cccnn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.44
▸ CTDSP1 Q9GZU7 1/20 0.41
▸ CYP2C9 P11712 1/20 0.39
▸ NAMPT P43490 1/20 0.39
▸ P2RX7 Q99572 1/20 0.37
▸ VNN1 O95497 4/20 0.36
▸ LMNA P02545 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ CES1 P23141 1/20 0.33
▸ NAPRT Q6XQN6 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ CHRM1 P11229 1/20 0.31
▸ HRH1 P35367 1/20 0.31
▸ GOT1 P17174 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4243545 0.81 CYP1A2 (0.44) CYP1A2CTDSP1CYP2C9NAMPTP2RX7
SCHEMBL9255278 0.81 CYP1A2 (0.46) CYP1A2CTDSP1CYP2C9NAMPTP2RX7
SCHEMBL3079246 0.77 CYP1A2 (0.47) CYP1A2CTDSP1CYP2C9NAMPTP2RX7
SCHEMBL8847307 0.76 KCNH2 (0.43) LMNATDP1ALDH1A1NPC1RAB9A
SCHEMBL497367 0.76 LMNA (0.60) CYP1A2LMNATDP1ALDH1A1NPC1
SCHEMBL6241871 0.74 — —
SCHEMBL30942631 0.74 — —
SCHEMBL28749 0.74 — —
SCHEMBL18854185 0.73 CYP1A2 (0.44) CYP1A2CTDSP1CYP2C9NAMPTP2RX7
SCHEMBL27883898 0.73 CYP1A2 (0.50) CYP1A2CTDSP1CYP2C9NAMPTP2RX7

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4680598-A1 4-DIFLUOROMETHYL BENZAMIDES WITH HERBICIDAL ACTION Bayer Aktiengesellschaft (DE) 2026-01-21 — — EP disclosed
EP-4605379-A1 BROMINE- OR IODINE-PARA-SUBSTITUTED [(1,5-DIPHENYL-1H-1,2,4-TRIAZOL-3-YL)OXY]ACETIC ACID DERIVATIVES AND SALTS THEREOF, PROTECTION AGENTS COMPRISING THEM, FOR USEFUL PLANTS OR CROP PLANTS, METHODS FOR PRODUCING THEM AND USE THEREOF AS SAFENERS Bayer Aktiengesellschaft (DE) 2025-08-27 — — EP disclosed
EP-4605378-A2 BROMINE- OR IODINE-PARA-SUBSTITUTED [(1,5-DIPHENYL-1H-1,2,4-TRIAZOL-3-YL)OXY]ACETIC ACID DERIVATIVES AND THEIR SALTS, AGENTS FOR PROTECTING USEFUL PLANTS OR CROP PLANTS COMPRISING THEM, METHODS FOR PRODUCING THEM AND THEIR USE AS SAFENERS Bayer Aktiengesellschaft (DE) 2025-08-27 — — EP disclosed
EP-4602036-A1 SUBSTITUTED N-PHENYLURACILS AND SALTS THEREOF, AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES Bayer Aktiengesellschaft (DE) 2025-08-20 — — EP disclosed
WO-2025103929-A1 SUBSTITUTED N-BENZOIC ACID URACILS AND SALTS THEREOF, AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES BAYER AKTIENGESELLSCHAFT (DE) 2025-05-22 — — WO disclosed
WO-2024194026-A1 4-DIFLUOROMETHYL BENZAMIDES WITH HERBICIDAL ACTION BAYER AKTIENGESELLSCHAFT (DE) 2024-09-26 — — WO disclosed
WO-2024104952-A1 SUBSTITUTED CYCLOPROPYLOXYPHENYLURACILS AND SALTS THEREOF, AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES BAYER AKTIENGESELLSCHAFT (DE) 2024-05-23 — — WO disclosed
WO-2024083670-A2 BROMINE- OR IODINE-PARA-SUBSTITUTED [(1,5-DIPHENYL-1H-1,2,4-TRIAZOL-3-YL)OXY]ACETIC ACID DERIVATIVES AND THEIR SALTS, AGENTS FOR PROTECTING USEFUL PLANTS OR CROP PLANTS COMPRISING THEM, METHODS FOR PRODUCING THEM AND THEIR USE AS SAFENERS BAYER AKTIENGESELLSCHAFT (DE) 2024-04-25 — — WO disclosed
WO-2024083671-A1 BROMINE- OR IODINE-PARA-SUBSTITUTED [(1,5-DIPHENYL-1H-1,2,4-TRIAZOL-3-YL)OXY]ACETIC ACID DERIVATIVES AND SALTS THEREOF, PROTECTION AGENTS COMPRISING THEM, FOR USEFUL PLANTS OR CROP PLANTS, METHODS FOR PRODUCING THEM AND USE THEREOF AS SAFENERS BAYER AKTIENGESELLSCHAFT (DE) 2024-04-25 — — WO disclosed
WO-2024078871-A1 1-PYRIDYL-5-PHENYLPYRAZOLYL-3-OXY- AND -3-THIOALKYL ACIDS AND DERIVATIVES AND THEIR USE FOR CONTROLLING UNDESIRED PLANT GROWTH BAYER AKTIENGESELLSCHAFT (DE) 2024-04-18 — — WO disclosed
WO-2024078906-A1 SUBSTITUTED N-PHENYLURACILS AND SALTS THEREOF, AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES BAYER AKTIENGESELLSCHAFT (DE) 2024-04-18 — — WO disclosed
EP-4232443-A1 1-(PYRIDYL)-5-AZINYLPYRAZOLE DERIVATIVES, AND THEIR USE FOR CONTROL OF UNDESIRED PLANT GROWTH Bayer Aktiengesellschaft (DE) 2023-08-30 — — EP disclosed
WO-2022253700-A1 SPECIFICALLY SUBSTITUTED PYRROLINE-2-ONES AND THEIR USE AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2022-12-08 — — WO disclosed
WO-2022084278-A1 1-(PYRIDYL)-5-AZINYLPYRAZOLE DERIVATIVES, AND THEIR USE FOR CONTROL OF UNDESIRED PLANT GROWTH BAYER AKTIENGESELLSCHAFT (DE) 2022-04-28 — — WO disclosed
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