SCHEMBL9033307

SCHEMBL9033307

Clc1ccc(-c2nc3cc(-c4ccc5[nH]c(-c6ccc(Cl)cc6)nc5c4)ccc3[nH]2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.61
HPGD P15428 4/20 0.61
NPC1 O15118 4/20 0.61
KDM4E B2RXH2 3/20 0.61
RAB9A P51151 3/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
MEN1 O00255 3/20 0.61
MAPT P10636 3/20 0.61
KMT2A Q03164 3/20 0.61
TP53 P04637 2/20 0.61
HSD17B10 Q99714 2/20 0.61
GAA P10253 2/20 0.61
APP P05067 1/20 0.61
NFKB1 P19838 1/20 0.61
SNCA P37840 1/20 0.61
NFKB2 Q00653 1/20 0.61
RELA Q04206 1/20 0.61
MCL1 Q07820 1/20 0.61
PKM P14618 1/20 0.58
MAPK1 P28482 2/20 0.56

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
SCHEMBL7187637 0.93 ALDH1A1 (0.68) ALDH1A1HPGDNPC1KDM4ERAB9A
SCHEMBL3335014 0.93 ALDH1A1 (0.61) ALDH1A1HPGDNPC1KDM4ERAB9A
SCHEMBL9032997 0.91 ALDH1A1 (0.62) ALDH1A1HPGDNPC1KDM4ERAB9A
SCHEMBL20445296 0.91 NPC1 (0.60) ALDH1A1HPGDNPC1KDM4ERAB9A
SCHEMBL7186585 0.87 ALDH1A1 (0.49) ALDH1A1HPGDNPC1KDM4ERAB9A
SCHEMBL3337505 0.86 ALDH1A1 (0.55) ALDH1A1HPGDNPC1KDM4ERAB9A
SCHEMBL2246334 0.86 ALDH1A1 (0.77) ALDH1A1HPGDNPC1KDM4ERAB9A
SCHEMBL3336522 0.86 NPC1 (0.57) ALDH1A1HPGDNPC1KDM4ERAB9A
SCHEMBL3337292 0.86 GUSB (0.57) ALDH1A1HPGDNPC1KDM4ERAB9A
SCHEMBL2094029 0.86 ALDH1A1 (0.55) ALDH1A1HPGDNPC1KDM4ERAB9A

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 2 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 disclosed
EP-0511187-A1 Process for the preparation of 1H-benzimidazoles U C B, S.A. (BE) 1992-10-28 EP disclosed