SCHEMBL5820869

SCHEMBL5820869

O=C(c1ccc(F)cc1)c1ccn2cncc2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.42
NPC1 O15118 7/20 0.37
RXFP1 Q9HBX9 1/20 0.37
HSD17B14 Q9BPX1 1/20 0.35
RAB9A P51151 6/20 0.35
MAPT P10636 3/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
TP53 P04637 2/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
PKM P14618 1/20 0.34
CASP3 P42574 1/20 0.34
SENP8 Q96LD8 1/20 0.34

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
SCHEMBL5816136 0.86 ALDH1A1 (0.42) NPC1RAB9AMAPTKDM4EALDH1A1
SCHEMBL5820637 0.85 CNR2 (0.44) NPC1RAB9AMAPTALDH1A1HPGD
SCHEMBL22835342 0.77 PTGS1 (0.45) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL17730235 0.75 HRH4 (0.38) MAPTTSHRCYP1A2CYP3A4KMT2A
SCHEMBL8151883 0.69 HSD17B14 (0.55) LTA4HNPC1RXFP1HSD17B14MAPT
SCHEMBL2086534 0.66 HRH4 (0.50) LTA4HNPC1RAB9AKDM4EALDH1A1
SCHEMBL15201354 0.65 LTA4H (0.49) LTA4HNPC1RXFP1RAB9AMAPT
SCHEMBL5820871 0.65 ALDH1A1 (0.40) NPC1RAB9AMAPTALDH1A1HPGD
SCHEMBL11252994 0.64 LTA4H (0.56) LTA4HNPC1RXFP1RAB9AMAPT
SCHEMBL238259 0.63 LTA4H (0.73) LTA4HNPC1RXFP1RAB9AMAPT

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
WO-2006084835-A1 N-(3-(IMIDAZO [1,5-A]PYRIMIDIN-4-YL)PHENYL]-SULFONAMIDES AND N-[3-(IMIDAZO[1,5-A]PYRIMIDIN-4-YL)-PHENYL]-CARBOXAMIDES AND THEIR USE AS GABAA RECEPTOR MODULATORS FERRER INTERNACIONAL, S. A. (ES) 2006-08-17 WO disclosed