SCHEMBL9516867

SCHEMBL9516867

Cc1nc(C=Cc2cccc(N)c2)sc1C

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 6/20 0.50
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50
NPC1 O15118 2/20 0.49
MAPT P10636 1/20 0.49
GFER P55789 1/20 0.49
NPSR1 Q6W5P4 1/20 0.41
KDM1A O60341 3/20 0.40
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
POLB P06746 1/20 0.37
RAB9A P51151 1/20 0.37
HPGD P15428 1/20 0.36
NOS1 P29475 1/20 0.35
GRM4 Q14833 2/20 0.35
TSHR P16473 1/20 0.35
RECQL P46063 1/20 0.35

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
SCHEMBL9516857 1.00 CYP19A1 (0.50) CYP19A1MAOAMAOBNPC1MAPT
SCHEMBL9514459 0.83 CYP19A1 (0.45) CYP19A1MAOAMAOBNPC1MAPT
SCHEMBL9514462 0.83 CYP19A1 (0.45) CYP19A1MAOAMAOBNPC1MAPT
SCHEMBL9515945 0.75 MAPT (0.55) CYP19A1MAOAMAOBNPC1MAPT
SCHEMBL9515936 0.75 MAPT (0.55) CYP19A1MAOAMAOBNPC1MAPT
SCHEMBL29664559 0.74 CYP19A1 (0.86) CYP19A1MAOAMAOBNPC1MAPT
SCHEMBL2774526 0.74 CYP19A1 (0.86) CYP19A1MAOAMAOBNPC1MAPT
SCHEMBL2774532 0.74 CYP19A1 (0.86) CYP19A1MAOAMAOBNPC1MAPT
SCHEMBL5775979 0.71 NPC1 (0.48) CYP19A1MAOAMAOBNPC1MAPT
SCHEMBL8868935 0.71 CYP19A1 (0.67) CYP19A1MAOAMAOBNPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0219436-B1 Thiazole derivative and leukotriene antagonist containing the same as the effective ingredients MITSUBISHI CHEM IND (JP) 1993-12-22 EP disclosed
US-4902700-A Thiazole derivative and leukotriene antagonist containing the same as the effective ingredients MITSUBISHI KASEI CORPORATION (JP) 1990-02-20 US disclosed
EP-0219436-A2 Thiazole derivative and leukotriene antagonist containing the same as the effective ingredients MITSUBISHI KASEI CORPORATION (JP) 1987-04-22 EP disclosed