SCHEMBL9045665

SCHEMBL9045665

CSc1ccc(-c2cc(-c3ccc(Cl)cc3)[nH]n2)cc1

nearest known ligand 0.75

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.64
RAB9A P51151 5/20 0.57
KMT2A Q03164 5/20 0.57
NPC1 O15118 4/20 0.57
MAPT P10636 4/20 0.57
MEN1 O00255 4/20 0.57
POLB P06746 2/20 0.57
MCL1 Q07820 2/20 0.57
PKM P14618 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
MAPK1 P28482 2/20 0.51
MKNK1 Q9BUB5 1/20 0.50
MKNK2 Q9HBH9 1/20 0.50
LMNA P02545 2/20 0.49
HPGD P15428 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ALOX15 P16050 1/20 0.47

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
SCHEMBL8490480 0.84 AXL (0.64) RAB9AKMT2ANPC1MAPTMEN1
SCHEMBL17279907 0.83 RAB9A (0.56) TRPM8RAB9ANPC1MAPTPOLB
SCHEMBL6263733 0.82 RAB9A (0.61) TRPM8RAB9AKMT2ANPC1MAPT
SCHEMBL6231163 0.80 RAB9A (0.79) RAB9AKMT2ANPC1MAPTMEN1
SCHEMBL8201798 0.79 MAPT (0.50) TRPM8RAB9AKMT2ANPC1MAPT
SCHEMBL9049719 0.79 GCGR (0.62) TRPM8RAB9AKMT2ANPC1MAPT
SCHEMBL9049682 0.79 MAPT (0.66) TRPM8RAB9AKMT2ANPC1MAPT
SCHEMBL9048096 0.79 KMT2A (0.64) TRPM8RAB9AKMT2ANPC1MAPT
SCHEMBL15425110 0.79 MKNK1 (0.64) TRPM8RAB9AKMT2ANPC1MAPT
SCHEMBL9047596 0.79 MAPT (0.66) TRPM8RAB9AKMT2ANPC1MAPT

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-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