SCHEMBL7972825

SCHEMBL7972825

COc1cc(NNF)ccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM4 Q14833 3/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.46
▸ MAOB P27338 3/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ MAPT P10636 4/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ TSHR P16473 1/20 0.40
▸ MCOLN3 Q8TDD5 1/20 0.40
▸ IDO1 P14902 1/20 0.39
▸ TDO2 P48775 1/20 0.39
▸ SRC P12931 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ MAOA P21397 1/20 0.39
▸ DYRK1A Q13627 1/20 0.38
▸ EGFR P00533 1/20 0.38
▸ FFAR4 Q5NUL3 1/20 0.38
▸ GLA P06280 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ GAA P10253 2/20 0.37

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
SCHEMBL10984450 0.83 GRM4 (0.47) GRM4HDAC6MAOBALDH1A1MAPT
SCHEMBL4679832 0.81 RORC (0.44) GRM4HDAC6ALDH1A1MAPTMEN1
SCHEMBL20984381 0.79 GRM4 (0.54) GRM4HDAC6MAOBALDH1A1MAPT
SCHEMBL8310787 0.79 GRM4 (0.49) GRM4HDAC6MAOBALDH1A1MAPT
SCHEMBL9664574 0.78 CYP17A1 (0.34) GRM4HDAC6ALDH1A1MAPTMEN1
SCHEMBL4133738 0.77 NPC1 (0.48) GRM4HDAC6MAOBALDH1A1MAPT
Hydrochloric Acid SCHEMBL3661738 0.76 NPC1 (0.47) GRM4HDAC6MAOBALDH1A1MAPT
Bromide SCHEMBL20984091 0.76 NPC1 (0.47) GRM4HDAC6MAOBALDH1A1MAPT
SCHEMBL20984362 0.75 GRM4 (0.50) GRM4HDAC6MAOBALDH1A1MAPT
SCHEMBL7529718 0.75 MEN1 (0.34) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6225313-B1 USE AS HERBICIDES AND FOR THE DESICCATION/DEFOLIATION OF PLANTS BASF AKTIENGESELLSCHAFT (DE) 2001-05-01 — — US disclosed
US-4919708-A Haloalkyl triazolinones and herbicidal use thereof FMC CORPORATION (US) 1990-04-24 — — US disclosed
US-4818276-A Herbicidal 1-aryl-Δ2 -1,2,4-triazolin-5-ones FMC CORPORATION (US) 1989-04-04 — — US disclosed
US-4806145-A Herbicidal aryl triazolinones FMC CORPORATION (US) 1989-02-21 — — US disclosed
WO-1988009617-A1 1-(4-CHLORO-2-FLUORO-5-METHOXYPHENYL)-3-METHYL-4-DIFLUOROMETHYL-DELTA2-1,2,4-TRIAZOLIN-5-ONE AS HERBICIDAL AGENT FMC CORPORATION (US) 1988-12-15 — — WO disclosed
US-4743291-A Herbicidal aryl triazolinones FMC CORPORATION (US) 1988-05-10 — — US disclosed
US-4705557-A Herbicidal 1-aryl-Δ2 -1,2,4-triazolin-5-ones and sulfur analogs thereof FMC CORPORATION (US) 1987-11-10 — — US disclosed
US-4702763-A Herbicidal 1-aryl-delta2-1,2,4-triazolin-5-ones FMC CORPORATION (US) 1987-10-27 — — US disclosed
EP-0199794-A4 HERBICIDAL ARYL TRIAZOLINONES. FMC CORP (US) 1987-09-28 — — EP disclosed
EP-0221083-A1 HALOALKYL TRIAZOLINONES FMC Corporation (US) 1987-05-13 — — EP disclosed
EP-0199794-A1 HERBICIDAL ARYL TRIAZOLINONES FMC Corporation (US) 1986-11-05 — — EP disclosed
EP-0177553-A4 HERBICIDAL 1-ARYL-DELTA 2-1,2,4-TRIAZOLIN-5-ONES. FMC CORP (US) 1986-08-21 — — EP disclosed
WO-1986004481-A2 HALOALKYL TRIAZOLINONES FMC CORPORATION (US) 1986-08-14 — — WO disclosed
WO-1986002642-A1 HERBICIDAL ARYL TRIAZOLINONES FMC CORPORATION (US) 1986-05-09 — — WO disclosed
EP-0177553-A1 HERBICIDAL 1-ARYL-DELTA 2-1,2,4-TRIAZOLIN-5-ONES FMC Corporation (US) 1986-04-16 — — EP disclosed
EP-0157876-A1 HERBICIDAL 1-ARYL-$g(D)?2 -1,2,4-TRIAZOLIN-5-ONES FMC Corporation (US) 1985-10-16 — — EP disclosed
WO-1985004307-A1 HERBICIDAL 1-ARYL-DELTA2-1,2,4-TRIAZOLIN-5-ONES FMC CORPORATION (US) 1985-10-10 — — WO disclosed
WO-1985001637-A1 HERBICIDAL 1-ARYL-DELTA2-1,2,4-TRIAZOLIN-5-ONES FMC CORPORATION (US) 1985-04-25 — — WO disclosed
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