SCHEMBL7596618

SCHEMBL7596618

c1ccc2[nH]c(-n3cnc4ccccc43)cc2c1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 3/20 0.49
▸ POLB P06746 1/20 0.45
▸ FGFR1 P11362 5/20 0.44
▸ ROCK1 Q13464 1/20 0.43
▸ MKNK1 Q9BUB5 1/20 0.43
▸ MKNK2 Q9HBH9 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.41
▸ TP53 P04637 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ MAPK1 P28482 1/20 0.41

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
SCHEMBL1509435 0.74 AURKA (0.53) HTTPOLBFGFR1ROCK1MKNK1
SCHEMBL20532773 0.72 IDO1 (0.54) HTTALDH1A1MAPK1
SCHEMBL8796762 0.71 PDGFRB (0.36) HTTPOLBFGFR1ALDH1A1TP53
SCHEMBL7472749 0.70 HTT (0.55) HTTPOLBFGFR1ROCK1MKNK1
SCHEMBL9025863 0.70 PIK3CB (0.68) HTTPOLBFGFR1ROCK1MKNK1
SCHEMBL13052913 0.70 HTT (0.77) HTTPOLBFGFR1
SCHEMBL31294902 0.69 HTT (0.62) HTTFGFR1
SCHEMBL31049319 0.69 HTT (0.53) HTTPOLBFGFR1ROCK1MKNK1
SCHEMBL23900330 0.69 HTT (0.57) HTTFGFR1
SCHEMBL547284 0.69 AOC3 (0.37) ALDH1A1MAPK1

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
CN-107459533-B Benzimidazole-indole skeleton phosphine ligand and preparation method and application thereof 香港理工大学深圳研究院 2020-06-05 — — CN claimed
CN-107459533-B Benzimidazole-indole skeleton phosphine ligand and preparation method and application thereof 香港理工大学深圳研究院 2020-06-05 — — CN disclosed
EP-0666858-B1 5-ARYLINDOLE DERIVATIVES AND THEIR USE AS SEROTONIN (5-HT 1) AGONISTS PFIZER (US) 2001-06-13 — — EP disclosed
EP-1094064-A1 5-arylindolederivatives and their use as serotonin(5-ht1)agonists PFIZER INC. (US) 2001-04-25 — — EP disclosed
WO-2000078761-A1 INDOLYL-BENZIMIDAZOLE ANTIBACTERIALS, AND METHODS OF USE THEREOF SEPRACOR, INC. (US) 2000-12-28 — — WO disclosed
US-5886008-A 5-arylindole derivatives PFIZER INC. (US) 1999-03-23 — — US disclosed
EP-0666858-A1 5-ARYLINDOLE DERIVATIVES AND THEIR USE AS SEROTONIN (5-HT 1?) AGONISTS PFIZER INC. (US) 1995-08-16 — — EP disclosed
WO-1994010171-A1 5-ARYLINDOLE DERIVATIVES AND THEIR USE AS SEROTONIN (5-HT1) AGONISTS PFIZER INC. (US) 1994-05-11 — — WO disclosed
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