SCHEMBL17612693

SCHEMBL17612693

CCCOc1ccc(-n2c(=O)ccc3cc(C(=O)Nc4cccc(Cl)c4)[nH]c32)cc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.55
TP53 P04637 6/20 0.55
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
RXFP1 Q9HBX9 1/20 0.46
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 1/20 0.43
FADS1 O60427 1/20 0.42
NHERF1 O14745 1/20 0.41
NR1H4 Q96RI1 3/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL17612711 0.90 NPC1 (0.46) MAPTTP53NPC1RAB9ARXFP1
SCHEMBL17612699 0.88 RXFP1 (0.45) MAPTTP53NPC1RAB9ARXFP1
SCHEMBL17612696 0.87 RXFP1 (0.44) MAPTTP53NPC1RAB9ARXFP1
SCHEMBL12305112 0.86 NPC1 (0.42) TP53NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL17612683 0.86 NPC1 (0.44) MAPTTP53NPC1RAB9ARXFP1
SCHEMBL10059653 0.86 NHERF1 (0.49) TP53NPC1RAB9ASMN1; SMN2FADS1
SCHEMBL17612688 0.85 MEN1 (0.47) MAPTTP53NPC1RAB9ARXFP1
SCHEMBL17612684 0.85 RAB9A (0.52) MAPTTP53NPC1RAB9ARXFP1
SCHEMBL12332996 0.84 F10 (0.46) MAPTTP53NPC1RAB9ASMN1; SMN2
SCHEMBL10059600 0.84 P2RX1 (0.44) MAPTTP53NPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9290450-B2 Compounds and methods for treating inflammatory and fibrotic disorders INTERMUNE, INC. (US) 2016-03-22 US disclosed