SCHEMBL9033788

SCHEMBL9033788

Clc1ccc(-c2nc3c[c]ccc3[nH]2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.53
RAB9A P51151 6/20 0.53
ALDH1A1 P00352 5/20 0.53
HPGD P15428 5/20 0.53
KDM4E B2RXH2 5/20 0.53
SMN1; SMN2 Q16637 5/20 0.53
PKM P14618 1/20 0.53
MAPT P10636 4/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
TP53 P04637 3/20 0.51
HSD17B10 Q99714 3/20 0.51
GAA P10253 3/20 0.51
APP P05067 1/20 0.51
NFKB1 P19838 1/20 0.51
SNCA P37840 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
MCL1 Q07820 1/20 0.51
CYP3A4 P08684 1/20 0.46

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
SCHEMBL695531 0.87 ALDH1A1 (0.59) NPC1RAB9AALDH1A1HPGDKDM4E
SCHEMBL695765 0.84 KDM4E (0.61) NPC1RAB9AALDH1A1HPGDKDM4E
SCHEMBL694906 0.83 NPC1 (0.62) NPC1RAB9AALDH1A1HPGDKDM4E
SCHEMBL16719495 0.82 ALDH1A1 (0.60) NPC1RAB9AALDH1A1HPGDKDM4E
SCHEMBL2079577 0.81 RHEB (0.57) NPC1RAB9AALDH1A1HPGDKDM4E
SCHEMBL693773 0.80 ALDH1A1 (0.43) NPC1RAB9AALDH1A1HPGDKDM4E
SCHEMBL704211 0.80 NPBWR1 (0.51) CHEK2NPBWR1TNKSTNKS2
SCHEMBL9032674 0.79 KDM4E (0.63) NPC1RAB9AALDH1A1HPGDKDM4E
SCHEMBL3335014 0.76 ALDH1A1 (0.61) NPC1RAB9AALDH1A1HPGDKDM4E
SCHEMBL197619 0.76 RAB9A (0.72) NPC1RAB9AALDH1A1HPGDKDM4E

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-0511187-B1 Process for the preparation of 1H-benzimidazoles UCB SA (BE) 1996-11-20 EP claimed
CN-1674893-A Benzimidazole derivatives MERCK PATENT GMBH (DE) 2005-09-28 CN disclosed
EP-0511187-A1 Process for the preparation of 1H-benzimidazoles U C B, S.A. (BE) 1992-10-28 EP disclosed