SCHEMBL8236758

SCHEMBL8236758

CC(C)N(CC(=O)Nc1nc(-c2ccccc2)cn1-c1ccccc1)C(=O)Cc1cccc(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.45
MAPT P10636 5/20 0.45
CXCR3 P49682 7/20 0.40
TP53 P04637 3/20 0.40
GABRA2 P47869 1/20 0.38
GABRB2 P47870 1/20 0.38
THRB P10828 1/20 0.38
CSNK1D P48730 1/20 0.38
CACNA1G O43497 1/20 0.38
CACNA1H O95180 1/20 0.38
CACNA1C Q13936 1/20 0.38
CACNA1I Q9P0X4 1/20 0.38
FNTA P49354 1/20 0.38
FNTB P49356 1/20 0.38

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
SCHEMBL8236031 0.96 SMN1; SMN2 (0.43) SMN1; SMN2MAPTCXCR3TP53GABRA2
SCHEMBL8228005 0.91 TSHR (0.44) SMN1; SMN2MAPTCXCR3
SCHEMBL8236364 0.90 SMN1; SMN2 (0.45) SMN1; SMN2MAPTCXCR3
SCHEMBL8236760 0.90 MAPT (0.43) SMN1; SMN2MAPTCXCR3TP53
SCHEMBL8228518 0.88 PSMB5 (0.42) SMN1; SMN2MAPTCXCR3
SCHEMBL8228164 0.87 THRB (0.46) SMN1; SMN2MAPTCXCR3TP53THRB
SCHEMBL8233163 0.86 MAPT (0.47) SMN1; SMN2MAPTCXCR3TP53
SCHEMBL8234229 0.85 CXCR3 (0.49) CXCR3
SCHEMBL8228511 0.85 CXCR3 (0.45) MAPTCXCR3FNTAFNTB
SCHEMBL8236040 0.85 MAPT (0.47) MAPTCXCR3TP53

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-2007082666-A1 ACYLAMINOIMIDAZOLES BAYER HEALTHCARE AG (DE) 2007-07-26 WO disclosed