SCHEMBL7808579

SCHEMBL7808579

Clc1ccc(C=Cc2nc3ccccc3[nH]2)c(Cl)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 10/20 1.00
▸ RAB9A P51151 10/20 1.00
▸ MAPT P10636 9/20 1.00
▸ KMT2A Q03164 8/20 1.00
▸ KDM4E B2RXH2 8/20 1.00
▸ ALDH1A1 P00352 7/20 1.00
▸ MEN1 O00255 7/20 1.00
▸ SMN1; SMN2 Q16637 5/20 1.00
▸ HPGD P15428 5/20 1.00
▸ LMNA P02545 5/20 1.00
▸ HTT P42858 4/20 1.00
▸ GAA P10253 3/20 1.00
▸ PKM P14618 3/20 1.00
▸ GLA P06280 2/20 1.00
▸ ALPL P05186 1/20 1.00
▸ ALPG P10696 1/20 1.00
▸ NFKB1 P19838 2/20 0.62
▸ NFKB2 Q00653 2/20 0.62
▸ RELA Q04206 2/20 0.62
▸ RECQL P46063 1/20 0.62

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
SCHEMBL1797554 0.84 NPC1 (0.72) NPC1RAB9AMAPTKMT2AKDM4E
SCHEMBL1797549 0.84 NPC1 (0.72) NPC1RAB9AMAPTKMT2AKDM4E
SCHEMBL1086983 0.80 ALDH1A1 (0.81) NPC1RAB9AMAPTKMT2AKDM4E
SCHEMBL1086985 0.80 ALDH1A1 (0.81) NPC1RAB9AMAPTKMT2AKDM4E
SCHEMBL29539476 0.80 ALDH1A1 (0.81) NPC1RAB9AMAPTKMT2AKDM4E
SCHEMBL8548892 0.80 NPC1 (1.00) NPC1RAB9AMAPTKMT2AKDM4E
SCHEMBL6495657 0.80 NPC1 (1.00) NPC1RAB9AMAPTKMT2AKDM4E
SCHEMBL17609266 0.79 NPC1 (0.65) NPC1RAB9AMAPTKMT2AKDM4E
SCHEMBL1798183 0.75 TRPV1 (0.62) NPC1RAB9AMAPTKMT2AKDM4E
SCHEMBL704508 0.75 RAB9A (0.62) NPC1RAB9AMAPTKMT2AKDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0830345-B1 STYRYL BENZIMIDAZOLE DERIVATIVES AS INHIBITORS OF SMOOTH MUSCLE CELL PROLIFERATION AMERICAN HOME PROD (US) 2001-09-05 — — EP claimed
EP-0830345-A1 STYRYL BENZIMIDAZOLE DERIVATIVES AS INHIBITORS OF SMOOTH MUSCLE CELL PROLIFERATION AMERICAN HOME PRODUCTS CORPORATION (US) 1998-03-25 — — EP claimed
WO-1996039391-A1 STYRYL BENZIMIDAZOLE DERIVATIVES AS INHIBITORS OF SMOOTH MUSCLE CELL PROLIFERATION AMERICAN HOME PRODUCTS CORPORATION (US) 1996-12-12 — — WO claimed
EP-0830345-B1 STYRYL BENZIMIDAZOLE DERIVATIVES AS INHIBITORS OF SMOOTH MUSCLE CELL PROLIFERATION AMERICAN HOME PROD (US) 2001-09-05 — — EP disclosed
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