SCHEMBL8142183

SCHEMBL8142183

COc1ccc(-c2nc(-c3ccc(Cl)cc3)c[nH]2)cc1.Cc1ccccc1-c1c[nH]c(-c2ccccc2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.47
AURKB Q96GD4 1/20 0.47
GLA P06280 1/20 0.44
NR1H4 Q96RI1 1/20 0.42
ACP1 P24666 2/20 0.41
ACACA Q13085 1/20 0.41
DYRK1A Q13627 1/20 0.41
MAPT P10636 3/20 0.40
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
MMP13 P45452 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ALDH1A3 P47895 1/20 0.40
TP53 P04637 1/20 0.40
THRB P10828 1/20 0.40
SQOR Q9Y6N5 1/20 0.40
CXCR2 P25025 1/20 0.39
SCN2A Q99250 1/20 0.39
PDGFRB P09619 1/20 0.39

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
SCHEMBL7135272 0.85 PDGFRB (0.47) AURKAAURKBDYRK1AMAPTKDM4E
SCHEMBL26464174 0.85 PDGFRB (0.47) AURKAAURKBDYRK1AMAPTKDM4E
SCHEMBL650259 0.84 NPC1 (0.51) ACACADYRK1AMAPTKDM4EALDH1A1
SCHEMBL7142078 0.84 NPC1 (0.51) ACACADYRK1AMAPTKDM4EALDH1A1
SCHEMBL8111883 0.82 PDGFRB (0.47) AURKAAURKBACP1ACACADYRK1A
SCHEMBL7136950 0.81 NR1H2 (0.43) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL7139325 0.81 IDO1 (0.42) NR1H4MAPTKDM4EALDH1A1HPGD
SCHEMBL3136907 0.80 NR1H2 (0.51) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL3140919 0.80 NR1H2 (0.51) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL8119559 0.79 AURKA (0.43) AURKAAURKBACP1MAPTALDH1A3

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-0996443-A1 CERTAIN DIARYLIMIDAZOLE DERIVATIVES; A NEW CLASS OF NPY SPECIFIC LIGANDS NEUROGEN CORPORATION (US) 2000-05-03 EP disclosed
WO-1999001128-A1 CERTAIN DIARYLIMIDAZOLE DERIVATIVES; A NEW CLASS OF NPY SPECIFIC LIGANDS NEUROGEN CORPORATION (US) 1999-01-14 WO disclosed