SCHEMBL7129271

SCHEMBL7129271

O=C(NCC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)n1ccnc1)c1ccc(-c2ccc(Cl)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP24A1 Q07973 3/20 0.52
CYP27B1 O15528 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.47
CYP19A1 P11511 3/20 0.45
ROCK2 O75116 1/20 0.41
PRKACA P17612 1/20 0.41
RPS6KB1 P23443 1/20 0.41
IRAK1 P51617 1/20 0.41
PRKX P51817 1/20 0.41
LIMK1 P53667 1/20 0.41
PRKG2 Q13237 1/20 0.41
ROCK1 Q13464 1/20 0.41
PRKG1 Q13976 1/20 0.41
PKN2 Q16513 1/20 0.41
HIPK4 Q8NE63 1/20 0.41
AURKB Q96GD4 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
CSNK1G1 Q9HCP0 1/20 0.41
NAMPT P43490 1/20 0.41
MCHR1 Q99705 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
SCHEMBL2347291 0.96 SMN1; SMN2 (0.49) CYP24A1CYP27B1SMN1; SMN2CYP19A1
SCHEMBL10860461 0.73 CYP19A1 (0.46) CYP24A1CYP27B1CYP19A1
SCHEMBL1503385 0.68 CYP24A1 (1.00) CYP24A1CYP27B1
SCHEMBL8540395 0.68 CYP24A1 (1.00) CYP24A1CYP27B1
SCHEMBL1503388 0.68 CYP24A1 (1.00) CYP24A1CYP27B1
SCHEMBL6571604 0.68 SMN1; SMN2 (0.84) SMN1; SMN2CYP19A1NAMPT
SCHEMBL27354750 0.68 HIF1A (0.54) CYP24A1CYP27B1SMN1; SMN2NAMPTMCHR1
SCHEMBL10852854 0.67 SMN1; SMN2 (0.58) CYP24A1CYP27B1SMN1; SMN2
SCHEMBL331966 0.67 CYP19A1 (0.90) SMN1; SMN2CYP19A1
SCHEMBL16712996 0.66 ROCK2 (0.74) SMN1; SMN2ROCK2PRKACARPS6KB1IRAK1

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
WO-2003045381-A1 AMINOALKYLIMIDAZOLE DERIVATIVES AND THEIR USE IN MEDICINE MOLECULAR SKINCARE LIMITED (GB) 2003-06-05 WO claimed
WO-2003045381-A1 AMINOALKYLIMIDAZOLE DERIVATIVES AND THEIR USE IN MEDICINE MOLECULAR SKINCARE LIMITED (GB) 2003-06-05 WO disclosed