SCHEMBL7834944

SCHEMBL7834944

COc1cccc(CO)c1OCc1nc2cc(-n3ccnc3)ccc2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.41
MAOB P27338 2/20 0.41
NPC1 O15118 5/20 0.41
RAB9A P51151 5/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
CYP11B1 P15538 2/20 0.38
CYP11B2 P19099 2/20 0.38
F9 P00740 1/20 0.38
TP53 P04637 2/20 0.37
ALDH1A1 P00352 1/20 0.37
TUBB4A P04350 2/20 0.37
TUBB P07437 2/20 0.37
TUBA3C P0DPH7 2/20 0.37
TUBA1B P68363 2/20 0.37
TUBA4A P68366 2/20 0.37
TUBB4B P68371 2/20 0.37
TUBB3 Q13509 2/20 0.37
TUBB2A Q13885 2/20 0.37
TUBB8 Q3ZCM7 2/20 0.37
TUBA3E Q6PEY2 2/20 0.37

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
SCHEMBL7834948 0.93 CBFB (0.45) MAOAMAOBNPC1RAB9ASMN1; SMN2
SCHEMBL7834952 0.92 MAOA (0.42) MAOAMAOBNPC1RAB9ASMN1; SMN2
SCHEMBL7830706 0.92 NPC1 (0.46) MAOAMAOBNPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL7821793 0.91 NPC1 (0.46) MAOAMAOBNPC1RAB9ASMN1; SMN2
SCHEMBL7837220 0.89 NPC1 (0.43) MAOAMAOBNPC1RAB9ASMN1; SMN2
SCHEMBL7833671 0.88 NPC1 (0.43) MAOAMAOBNPC1RAB9ASMN1; SMN2
SCHEMBL7834959 0.85 CBFB (0.46) MAOAMAOBNPC1RAB9ASMN1; SMN2
SCHEMBL7830709 0.84 CBFB (0.50) MAOAMAOBNPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL7821802 0.83 CBFB (0.49) MAOAMAOBNPC1RAB9ASMN1; SMN2
SCHEMBL7830427 0.83 CYP11B1 (0.47) MAOAMAOBNPC1RAB9ASMN1; SMN2

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