SCHEMBL9045673

SCHEMBL9045673

Cc1csc(-c2cc(-c3ccc(Cl)cc3)[nH]n2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.50
MKNK2 Q9HBH9 1/20 0.50
TRPM8 Q7Z2W7 1/20 0.48
NPC1 O15118 5/20 0.47
RAB9A P51151 5/20 0.47
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
MAPT P10636 3/20 0.47
MCL1 Q07820 2/20 0.47
POLB P06746 1/20 0.47
PKM P14618 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
LTA4H P09960 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
NR1I2 O75469 1/20 0.42
AHR P35869 1/20 0.42
MAPK1 P28482 1/20 0.41
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL6263733 0.79 RAB9A (0.61) MKNK1MKNK2TRPM8NPC1RAB9A
SCHEMBL7203773 0.77 MKNK1 (0.53) MKNK1MKNK2TRPM8NPC1RAB9A
SCHEMBL14985526 0.77 RAB9A (0.57) MKNK1MKNK2NPC1RAB9AKMT2A
SCHEMBL4200384 0.76 CNR1 (0.41) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL9048321 0.76 MKNK1 (0.56) MKNK1MKNK2TRPM8NPC1RAB9A
SCHEMBL9049719 0.72 GCGR (0.62) MKNK1MKNK2TRPM8NPC1RAB9A
SCHEMBL3070625 0.71 TRPM8 (0.62) MKNK1MKNK2TRPM8NPC1RAB9A
SCHEMBL6231163 0.70 RAB9A (0.79) MKNK1MKNK2NPC1RAB9AKMT2A
SCHEMBL9049682 0.69 MAPT (0.66) MKNK1MKNK2TRPM8NPC1RAB9A
SCHEMBL9048096 0.69 KMT2A (0.64) MKNK1MKNK2TRPM8NPC1RAB9A

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