SCHEMBL7821732

SCHEMBL7821732

c1ccc(OCc2nc3ccc(-n4ccnc4)cc3[nH]2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.58
CBFB Q13951 1/20 0.57
NPC1 O15118 7/20 0.55
SMN1; SMN2 Q16637 6/20 0.55
TP53 P04637 3/20 0.55
TSHR P16473 1/20 0.55
FGFR1 P11362 1/20 0.51
FLT1 P17948 1/20 0.51
ALDH1A1 P00352 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP19A1 P11511 1/20 0.48
CYP11B1 P15538 1/20 0.48
CYP11B2 P19099 1/20 0.48
NCOA3 Q9Y6Q9 1/20 0.47
MAOA P21397 2/20 0.46
MAOB P27338 2/20 0.46
KMT2A Q03164 2/20 0.45

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
Hydrochloric Acid SCHEMBL8159913 0.99 RAB9A (0.57) RAB9ACBFBNPC1SMN1; SMN2TP53
SCHEMBL7821729 0.91 RAB9A (0.55) RAB9ACBFBNPC1SMN1; SMN2TP53
Hydrochloric Acid SCHEMBL8159907 0.90 RAB9A (0.54) RAB9ACBFBNPC1SMN1; SMN2TP53
SCHEMBL7831108 0.89 SMN1; SMN2 (0.55) RAB9ACBFBNPC1SMN1; SMN2TP53
SCHEMBL7834561 0.89 RAB9A (0.56) RAB9ACBFBNPC1SMN1; SMN2TP53
SCHEMBL7830518 0.89 CBFB (0.50) RAB9ACBFBNPC1SMN1; SMN2TP53
Hydrochloric Acid SCHEMBL8142735 0.88 SMN1; SMN2 (0.54) RAB9ACBFBNPC1SMN1; SMN2TP53
Hydrochloric Acid SCHEMBL8149755 0.88 RAB9A (0.55) RAB9ACBFBNPC1SMN1; SMN2TP53
Hydrochloric Acid SCHEMBL8148415 0.88 CBFB (0.49) RAB9ACBFBNPC1SMN1; SMN2TP53
SCHEMBL7833681 0.87 ADH5 (0.48) RAB9ACBFBALDH1A1CYP1A2CYP3A4

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 8 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 claimed
US-6040327-A INHIBITORS OF INTERLEUKINS; TREATING RHEUMATOID ARTHRITIS OR ARTHROSIS ADIR ET COMPAGNIE (FR) 2000-03-21 US claimed
EP-0894795-A1 Benzimidazole, benzoxazole and benzothiazole derivatives, their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1999-02-03 EP claimed
JP-11100368-A None JP disclosed
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
JP-H11100368-A NEW BENZIMIDAZOLE, BENZOXAZOLE AND BENZOTHIAZOLE COMPOUND AND PRODUCTION THEREOF AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME ADIR 1999-04-13 JP 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