SCHEMBL9514459

SCHEMBL9514459

CCc1nc(/C=C/c2cccc(N)c2)sc1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 6/20 0.45
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
NPC1 O15118 3/20 0.44
MAPT P10636 2/20 0.44
GFER P55789 1/20 0.44
NPSR1 Q6W5P4 2/20 0.37
KDM1A O60341 4/20 0.36
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
POLB P06746 1/20 0.34
RAB9A P51151 1/20 0.34
HPGD P15428 1/20 0.33
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL9514462 1.00 CYP19A1 (0.45) CYP19A1MAOAMAOBNPC1MAPT
SCHEMBL9514456 0.84 LCK (0.45) MAOANPC1MAPTNPSR1KDM1A
SCHEMBL9514452 0.84 LCK (0.45) MAOANPC1MAPTNPSR1KDM1A
SCHEMBL9516857 0.83 CYP19A1 (0.50) CYP19A1MAOAMAOBNPC1MAPT
SCHEMBL9516867 0.83 CYP19A1 (0.50) CYP19A1MAOAMAOBNPC1MAPT
SCHEMBL9515945 0.70 MAPT (0.55) CYP19A1MAOAMAOBNPC1MAPT
SCHEMBL9515936 0.70 MAPT (0.55) CYP19A1MAOAMAOBNPC1MAPT
SCHEMBL5775979 0.70 NPC1 (0.48) CYP19A1MAOAMAOBNPC1MAPT
SCHEMBL6584167 0.70 RAB9A (0.41) NPC1MAPTNPSR1KDM4EALDH1A1
SCHEMBL2774526 0.70 CYP19A1 (0.86) 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