SCHEMBL7821973

SCHEMBL7821973

COc1cccc(C)c1SCc1nc2cc(-n3ccnc3)ccc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.43
MAOB P27338 2/20 0.43
F9 P00740 1/20 0.41
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
CYP11B1 P15538 3/20 0.39
CYP11B2 P19099 3/20 0.39
LMNA P02545 2/20 0.39
POLB P06746 3/20 0.38
MAPK1 P28482 1/20 0.38
CYP19A1 P11511 2/20 0.36
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 1/20 0.36
TUBA4A P68366 1/20 0.36
TUBB4B P68371 1/20 0.36
TUBB3 Q13509 1/20 0.36
TUBB2A Q13885 1/20 0.36
TUBB8 Q3ZCM7 1/20 0.36

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
SCHEMBL7840878 0.94 MAOA (0.45) MAOAMAOBF9KDM4EGAA
SCHEMBL7821975 0.93 MAOA (0.45) MAOAMAOBF9KDM4EGAA
SCHEMBL7833192 0.91 F9 (0.44) MAOAMAOBF9KDM4EGAA
Hydrochloric Acid SCHEMBL7830596 0.90 F9 (0.44) MAOAMAOBF9KDM4EGAA
SCHEMBL7836267 0.90 MAOA (0.42) MAOAMAOBF9KDM4EGAA
SCHEMBL7840889 0.87 MAOA (0.48) MAOAMAOBF9KDM4EGAA
SCHEMBL7833322 0.86 MAOA (0.49) MAOAMAOBF9KDM4EGAA
SCHEMBL7833472 0.85 CBFB (0.39) MAOAMAOBF9CYP11B1CYP11B2
Hydrochloric Acid SCHEMBL8159109 0.85 MAOA (0.48) MAOAMAOBF9KDM4EGAA
SCHEMBL7833198 0.83 CBFB (0.49) MAOAMAOBF9KDM4EGAA

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