SCHEMBL6263733

SCHEMBL6263733

Cc1ccc(-c2cc(-c3ccc(Cl)cc3)n[nH]2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.61
NPC1 O15118 5/20 0.61
KMT2A Q03164 5/20 0.61
MEN1 O00255 4/20 0.61
MAPT P10636 3/20 0.61
POLB P06746 2/20 0.61
MCL1 Q07820 2/20 0.61
PKM P14618 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
MAPK1 P28482 1/20 0.56
TRPM8 Q7Z2W7 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.54
MKNK1 Q9BUB5 1/20 0.54
MKNK2 Q9HBH9 1/20 0.54
LMNA P02545 1/20 0.52
HPGD P15428 1/20 0.52
HTT P42858 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52

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
SCHEMBL6231163 0.84 RAB9A (0.79) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL7395528 0.84 RAB9A (0.79) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL15425110 0.83 MKNK1 (0.64) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL10066585 0.83 RAB9A (0.58) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL9047596 0.83 MAPT (0.66) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL9976037 0.83 RAB9A (0.67) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL9049719 0.83 GCGR (0.62) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL9049682 0.83 MAPT (0.66) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL9048096 0.83 KMT2A (0.64) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL9045665 0.82 TRPM8 (0.64) RAB9ANPC1KMT2AMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0731796-A1 1,3,5-TRISUBSTITUTED PYRAZOLE COMPOUNDS FOR TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-09-18 EP claimed
WO-1995015318-A1 1,3,5-TRISUBSTITUTED PYRAZOLE COMPOUNDS FOR TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1995-06-08 WO claimed
EP-0802906-B1 PROCESS FOR PRODUCING 3,5-DIARYL PYRAZOLENE BASF AG (DE) 2005-11-23 EP disclosed
US-5744614-A Preparation of 3,5-diarylpyrazoles BASF AKTIENGESELLSCHAFT (DE) 1998-04-28 US disclosed
EP-0802906-A1 PROCESS FOR PRODUCING 3,5-DIARYL PYRAZOLENE BASF AKTIENGESELLSCHAFT (DE) 1997-10-29 EP disclosed
WO-1996021650-A1 PROCESS FOR PRODUCING 3,5-DIARYL PYRAZOLENE BASF AKTIENGESELLSCHAFT (DE) 1996-07-18 WO disclosed