SCHEMBL4554012

SCHEMBL4554012

CC(C)(C#N)c1cccc(NC(=O)C(=O)c2c(-c3ccccc3)[nH]c3ccccc23)c1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 3/20 0.48
KDR P35968 3/20 0.48
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
ALDH1A1 P00352 1/20 0.43
PAX8 Q06710 1/20 0.42

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
SCHEMBL4671962 0.85 PDGFRB (0.66) PDGFRBKDRPOLBMAPTRAB9A
SCHEMBL4640324 0.77 POLB (0.52) POLBMAPTALDH1A1PAX8
SCHEMBL4246150 0.74 BRAF (0.50) MAPTRAB9A
SCHEMBL1645548 0.72 MAPT (0.58) MAPTRAB9AALDH1A1
SCHEMBL16146240 0.71 POLB (0.63) POLBMAPTALDH1A1PAX8
SCHEMBL4669960 0.71 POLB (0.51) POLBMAPTNPC1RAB9AALDH1A1
SCHEMBL4638436 0.71 RAB9A (0.61) POLBMAPTRAB9AALDH1A1
SCHEMBL4565523 0.71 CHRNA7 (0.49) POLBMAPTNPC1RAB9AALDH1A1
SCHEMBL4640537 0.71 POLB (0.53) PDGFRBKDRPOLBMAPTALDH1A1
SCHEMBL4638446 0.70 NPC1 (0.51) PDGFRBKDRPOLBMAPTNPC1

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-2097413-A1 2-[(2-SUBSTITUTED)-IND0LIZIN-3-YL]-2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS F2G Limited (GB) 2009-09-09 EP disclosed
WO-2008062182-A1 2- [ (2-SUBSTITUTED) -IND0LIZIN-3-YL] -2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS F2G LTD (GB) 2008-05-29 WO disclosed