SCHEMBL30008044

SCHEMBL30008044

Fc1c(-c2ccccn2)ccc2cc[nH]c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKCI P41743 1/20 0.45
▸ KDM4E B2RXH2 6/20 0.39
▸ LMNA P02545 3/20 0.39
▸ CCR1 P32246 2/20 0.39
▸ CCR5 P51681 2/20 0.39
▸ CCR8 P51685 2/20 0.39
▸ METAP1 P53582 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ BLM P54132 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ DOHH Q9BU89 1/20 0.39
▸ P4HTM Q9NXG6 1/20 0.39
▸ TDP1 Q9NUW8 3/20 0.39
▸ TP53 P04637 3/20 0.39
▸ ALOX15 P16050 3/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ L3MBTL1 Q9Y468 3/20 0.39
▸ HTT P42858 2/20 0.39
▸ ALPL P05186 2/20 0.39

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
SCHEMBL15712028 0.80 PRKCI (0.50) PRKCIKDM4ELMNACCR1CCR5
SCHEMBL31319703 0.73 CCR1 (0.46) PRKCIKDM4ELMNACCR1CCR5
SCHEMBL26919275 0.73 GRM5 (0.42) KDM4ELMNACYP1A2BLMALOX15
SCHEMBL22042190 0.73 KEAP1 (0.44) KDM4ETDP1ALOX15
SCHEMBL30008219 0.73 KEAP1 (0.44) KDM4ETDP1ALOX15
SCHEMBL31470405 0.72 AHR (0.40) TNFRIPK1
SCHEMBL29914907 0.71 KDM4E (0.46) KDM4ELMNACCR1CCR5CCR8
SCHEMBL1356335 0.71 KDM4E (0.50) PRKCIKDM4ELMNACCR1CCR5
SCHEMBL29901541 0.71 KDM4E (0.50) PRKCIKDM4ELMNACCR1CCR5
SCHEMBL23098933 0.70 PRKCI (0.46) PRKCIKDM4ELMNACCR1CCR5

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4337017-A1 HERBICIDE/SAFENER COMBINATION BASED ON SAFENERS FROM THE CLASS OF SUBSTITUTED [(1,5-DIPHENYL-1H-1,2,4-TRIAZOL-3-YL)OXY]ACETIC ACIDS AND THEIR SALTS Bayer Aktiengesellschaft (DE) 2024-03-20 — — EP disclosed
WO-2022238194-A1 HERBICIDE/SAFENER COMBINATION BASED ON SAFENERS FROM THE CLASS OF SUBSTITUTED [(1,5-DIPHENYL-1H-1,2,4-TRIAZOL-3-YL)OXY]ACETIC ACIDS AND THEIR SALTS BAYER AKTIENGESELLSCHAFT (DE) 2022-11-17 — — WO disclosed
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