SCHEMBL3658675

SCHEMBL3658675

Cc1ccc(Nc2cccc3c2CCN(C2CC2)C3)cc1-c1nc2ccccc2[nH]1.O=C1c2cccc(Nc3ccc(Cl)c(-c4ncc(-c5ccccc5)[nH]4)c3)c2CCN1C1(CO)CC1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.35
MAPT P10636 2/20 0.35
GAA P10253 1/20 0.35
SMO Q99835 1/20 0.35
LDLR P01130 1/20 0.34
TP53 P04637 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33

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
SCHEMBL3658672 0.91 MAPT (0.36) LMNAMAPTGAASMOTP53
SCHEMBL303610 0.83 SMO (0.40) SMO
SCHEMBL302292 0.80 SMO (0.43) SMO
SCHEMBL1922432 0.78 SMO (0.41) SMO
SCHEMBL1923378 0.78 SMO (0.43) SMO
SCHEMBL3626429 0.78 LDLR (0.45) LMNAMAPTGAALDLRTP53
SCHEMBL302505 0.77 SMO (0.43) SMO
SCHEMBL1921698 0.77 SMO (0.40) SMO
SCHEMBL1922090 0.77 SMO (0.42) SMO
SCHEMBL1921989 0.77 SMO (0.42) SMO

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-2010027746-A2 HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2010-03-11 WO disclosed