SCHEMBL8552352

SCHEMBL8552352

Brc1ccc(/C=C/c2nc3ccccc3[nH]2)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 13/20 0.76
▸ RAB9A P51151 13/20 0.76
▸ KMT2A Q03164 11/20 0.76
▸ KDM4E B2RXH2 10/20 0.76
▸ MEN1 O00255 9/20 0.76
▸ ALDH1A1 P00352 8/20 0.76
▸ SMN1; SMN2 Q16637 5/20 0.76
▸ HPGD P15428 4/20 0.76
▸ PKM P14618 3/20 0.76
▸ HSP90AA1 P07900 1/20 0.76
▸ MAPT P10636 10/20 0.72
▸ LMNA P02545 5/20 0.72
▸ GAA P10253 4/20 0.72
▸ GLA P06280 2/20 0.72
▸ TP53 P04637 1/20 0.72
▸ RXFP1 Q9HBX9 1/20 0.65
▸ HTT P42858 3/20 0.55
▸ NFKB1 P19838 2/20 0.55
▸ NFKB2 Q00653 2/20 0.55
▸ RELA Q04206 2/20 0.55

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
SCHEMBL8552353 1.00 NPC1 (0.76) NPC1RAB9AKMT2AKDM4EMEN1
SCHEMBL31305038 0.92 NPC1 (0.89) NPC1RAB9AKMT2AKDM4EMEN1
SCHEMBL537904 0.86 NPC1 (1.00) NPC1RAB9AKMT2AKDM4EMEN1
SCHEMBL537905 0.86 NPC1 (1.00) NPC1RAB9AKMT2AKDM4EMEN1
SCHEMBL29660212 0.86 NPC1 (1.00) NPC1RAB9AKMT2AKDM4EMEN1
SCHEMBL29539476 0.84 ALDH1A1 (0.81) NPC1RAB9AKMT2AKDM4EMEN1
SCHEMBL1086983 0.84 ALDH1A1 (0.81) NPC1RAB9AKMT2AKDM4EMEN1
SCHEMBL1086985 0.84 ALDH1A1 (0.81) NPC1RAB9AKMT2AKDM4EMEN1
SCHEMBL6481418 0.84 NPC1 (0.76) NPC1RAB9AKMT2AKDM4EMEN1
SCHEMBL5572508 0.84 NPC1 (0.76) NPC1RAB9AKMT2AKDM4EMEN1

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-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-A1 STYRYL BENZIMIDAZOLE DERIVATIVES AS INHIBITORS OF SMOOTH MUSCLE CELL PROLIFERATION AMERICAN HOME PRODUCTS CORPORATION (US) 1998-03-25 — — EP disclosed
WO-1996039391-A1 STYRYL BENZIMIDAZOLE DERIVATIVES AS INHIBITORS OF SMOOTH MUSCLE CELL PROLIFERATION AMERICAN HOME PRODUCTS CORPORATION (US) 1996-12-12 — — WO disclosed
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