SCHEMBL4115108

SCHEMBL4115108

[c]1nc(-c2nc3ccccc3[nH]2)c2ccccc2n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 1/20 0.58
FLT1 P17948 1/20 0.58
ALDH1A1 P00352 10/20 0.56
NPC1 O15118 10/20 0.56
RAB9A P51151 10/20 0.56
KDM4E B2RXH2 9/20 0.56
SMN1; SMN2 Q16637 8/20 0.56
HSD17B10 Q99714 6/20 0.56
NPSR1 Q6W5P4 4/20 0.56
TP53 P04637 4/20 0.56
PKM P14618 4/20 0.56
ABCB11 O95342 1/20 0.56
GAA P10253 2/20 0.50
HPGD P15428 8/20 0.49
LMNA P02545 3/20 0.49
MAPT P10636 3/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
MAPK1 P28482 1/20 0.49
AURKA O14965 1/20 0.47

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
SCHEMBL30277951 0.81 NPC1 (0.67) FGFR1FLT1ALDH1A1NPC1RAB9A
SCHEMBL717809 0.81 NPC1 (0.67) FGFR1FLT1ALDH1A1NPC1RAB9A
SCHEMBL28840317 0.75 FGFR1 (0.59) FGFR1FLT1ALDH1A1NPC1RAB9A
SCHEMBL30634854 0.74 NPC1 (1.00) ALDH1A1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL30561047 0.74 NPC1 (1.00) ALDH1A1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL172216 0.74 NPC1 (1.00) ALDH1A1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL311148 0.73 FGFR1 (1.00) FGFR1FLT1ALDH1A1NPC1RAB9A
SCHEMBL29714859 0.73 FGFR1 (1.00) FGFR1FLT1ALDH1A1NPC1RAB9A
Water SCHEMBL9817804 0.72 NPC1 (0.95) ALDH1A1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL28116783 0.72 NPC1 (0.72) FGFR1FLT1ALDH1A1NPC1RAB9A

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-2061796-A2 AZETIDINE AND AZETIDINONE DERIVATIVES USEFUL IN TREATING PAIN AND DISORDERS OF LIPID METABOLISM SCHERING CORPORATION (US) 2009-05-27 EP claimed
WO-2008033468-A2 AZETIDINE AND AZETIDONE DERIVATIVES USEFUL IN TREATING PAIN AND DISORDERS OF LIPID METABOLISM SCHERING CORPORATION (US) 2008-03-20 WO claimed
EP-0160256-A2 Condensed furanones, process for their preparation and their pharmaceutical use BAYER AG (DE) 1985-11-06 EP claimed
US-6906121-B2 4-nitrosodiphenylamine derivatives and their use as coupling agents for filled rubber compounds UNIROYAL CHEMICAL COMPANY, INC. (US) 2005-06-14 US disclosed