SCHEMBL8970938

SCHEMBL8970938

CC1=C(C)C(C)c2ccc(N)cc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.38
ALDH1A1 P00352 6/20 0.37
CASP1 P29466 5/20 0.35
PLA2G7 Q13093 1/20 0.34
ANPEP P15144 2/20 0.34
DPP4 P27487 1/20 0.34
TSHR P16473 5/20 0.33
CYP3A4 P08684 4/20 0.33
NPC1 O15118 4/20 0.33
RAB9A P51151 4/20 0.33
CASP7 P55210 1/20 0.33
HSD17B10 Q99714 1/20 0.33
RECQL P46063 2/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNA4 P43681 1/20 0.32
CDK5 Q00535 1/20 0.32
CDK5R1 Q15078 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
MAPK1 P28482 2/20 0.31
TP53 P04637 1/20 0.31

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
SCHEMBL28216630 0.84 ALDH1A1 (0.37) PDE10AALDH1A1CASP1PLA2G7ANPEP
SCHEMBL9927888 0.75
SCHEMBL1975685 0.68 PDE10A (0.32) PDE10AALDH1A1CDK5CDK5R1
SCHEMBL942118 0.67 ALDH1A1 (0.39) PDE10AALDH1A1CASP1TSHRCYP3A4
SCHEMBL28729915 0.64 CHEK1 (0.43) ALDH1A1CASP1CYP3A4CASP7HSD17B10
SCHEMBL30092397 0.63 PLA2G7 (0.65) PDE10AALDH1A1CASP1PLA2G7ANPEP
SCHEMBL8848693 0.63 PLA2G7 (0.65) PDE10AALDH1A1CASP1PLA2G7ANPEP
SCHEMBL31607621 0.63 PLA2G7 (0.65) PDE10AALDH1A1CASP1PLA2G7ANPEP
SCHEMBL1667321 0.63 ALDH1A1 (0.37) ALDH1A1CASP1TSHRCYP3A4CASP7
SCHEMBL9825061 0.63 CDK5 (0.41) PDE10AALDH1A1CASP1TSHRCYP3A4

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-0695213-A1 POLYIMIDE MEMBRANE FOR SEPARATION OF SOLVENTS FROM LUBE OIL W.R. GRACE & CO.-CONN. (US) 1996-02-07 EP disclosed
WO-1994025146-A1 POLYIMIDE MEMBRANE FOR SEPARATION OF SOLVENTS FROM LUBE OIL W. R. GRACE & CO.-CONN. (US) 1994-11-10 WO disclosed