SCHEMBL8613128

SCHEMBL8613128

Cc1nn(C)c(Cl)c1C(=O)Nc1cccc2c1CCC2(C)C

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ HPGD P15428 4/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ LMNA P02545 3/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ MAPT P10636 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ FPR3 P25089 1/20 0.38
▸ FPR2 P25090 1/20 0.38
▸ CYP1A2 P05177 2/20 0.37
▸ CYP2C9 P11712 2/20 0.37
▸ CYP2C19 P33261 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ NR3C1 P04150 1/20 0.36

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
SCHEMBL10341113 0.90 CYP1A2 (0.38) SMN1; SMN2HPGDALDH1A1LMNAL3MBTL1
SCHEMBL10340942 0.89 KDM4E (0.42) SMN1; SMN2HPGDALDH1A1LMNAMAPT
SCHEMBL10341075 0.88 ALDH1A1 (0.35) SMN1; SMN2HPGDALDH1A1LMNAMAPT
SCHEMBL9619631 0.87 SMN1; SMN2 (0.37) SMN1; SMN2HPGDALDH1A1LMNAL3MBTL1
SCHEMBL8613118 0.87 CYP1A2 (0.35) SMN1; SMN2HPGDALDH1A1LMNAL3MBTL1
SCHEMBL10340889 0.87 ATM (0.38) SMN1; SMN2HPGDALDH1A1LMNAL3MBTL1
SCHEMBL10340982 0.87 LMNA (0.38) SMN1; SMN2HPGDALDH1A1LMNAL3MBTL1
SCHEMBL10340906 0.86 ATM (0.35) SMN1; SMN2HPGDALDH1A1ATMRAB9A
SCHEMBL10340941 0.86 CYP1A2 (0.55) SMN1; SMN2HPGDALDH1A1LMNAMAPT
SCHEMBL10341084 0.85 ALDH1A1 (0.34) SMN1; SMN2HPGDALDH1A1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5750721-A 1,3-dimethyl-5-fluoro-pyrazole-4-carbonyl fluoride BAYER AKTIENGESELLSCHAFT (DE) 1998-05-12 — — US disclosed
US-5675016-A Process for the preparation of 1,3-dimethyl-5-fluoro-pyrazole-4-carboxanilides BAYER AKTIENGESELLSCHAFT (DE) 1997-10-07 — — US disclosed
EP-0199822-B1 PYRAZOLECARBOXAMIDE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND BACTERICIDES CONTAINING THEM AS EFFECTIVE INGREDIENTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1990-01-10 — — EP disclosed
US-4742074-A Pyrazolecarboxamide derivative and fungicide containing it as active ingredient SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1988-05-03 — — US disclosed
EP-0199822-A1 PYRAZOLECARBOXAMIDE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND BACTERICIDES CONTAINING THEM AS EFFECTIVE INGREDIENTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1986-11-05 — — EP disclosed
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