SCHEMBL7840889

SCHEMBL7840889

COc1cccc(OC)c1SCc1nc2ccc(-n3ccnc3)cc2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.48
MAOB P27338 4/20 0.48
CBFB Q13951 1/20 0.47
FGFR1 P11362 1/20 0.44
FLT1 P17948 1/20 0.44
CYP11B1 P15538 3/20 0.42
CYP11B2 P19099 3/20 0.42
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
NCOA3 Q9Y6Q9 1/20 0.40
LMNA P02545 1/20 0.39
CYP19A1 P11511 2/20 0.39
F9 P00740 1/20 0.39
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39
TUBA1B P68363 1/20 0.39
TUBA4A P68366 1/20 0.39
TUBB4B P68371 1/20 0.39
TUBB3 Q13509 1/20 0.39

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
SCHEMBL7821975 0.94 MAOA (0.45) MAOAMAOBCBFBFGFR1FLT1
SCHEMBL7836269 0.93 MAOA (0.44) MAOAMAOBCBFBFGFR1FLT1
SCHEMBL7840878 0.92 MAOA (0.45) MAOAMAOBCBFBFGFR1FLT1
SCHEMBL7833478 0.90 CBFB (0.48) MAOAMAOBCBFBFGFR1FLT1
SCHEMBL7833328 0.89 MAOA (0.52) MAOAMAOBCBFBFGFR1FLT1
Hydrochloric Acid SCHEMBL8159112 0.88 MAOA (0.51) MAOAMAOBCBFBFGFR1FLT1
SCHEMBL7833027 0.87 CYP19A1 (0.45) MAOAMAOBCYP11B1CYP11B2KDM4E
SCHEMBL7833198 0.87 CBFB (0.49) MAOAMAOBCBFBFGFR1FLT1
SCHEMBL7821973 0.87 MAOA (0.43) MAOAMAOBCBFBCYP11B1CYP11B2
SCHEMBL7836267 0.86 MAOA (0.42) MAOAMAOBCBFBCYP11B1CYP11B2

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-0894795-B1 Benzimidazole, benzoxazole and benzothiazole derivatives, their preparation and pharmaceutical compositions containing them ADIR (FR) 2001-06-06 EP disclosed
US-6040327-A INHIBITORS OF INTERLEUKINS; TREATING RHEUMATOID ARTHRITIS OR ARTHROSIS ADIR ET COMPAGNIE (FR) 2000-03-21 US disclosed
EP-0894795-A1 Benzimidazole, benzoxazole and benzothiazole derivatives, their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1999-02-03 EP disclosed