SCHEMBL4971195

SCHEMBL4971195

Cc1nc(Cl)ccc1C(=O)Nc1ccc(Cl)c(Nc2ccccc2)c1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
MAPT P10636 3/20 0.49
KDM4E B2RXH2 2/20 0.46
HTT P42858 2/20 0.46
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
GAA P10253 2/20 0.46
ALDH1A1 P00352 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45

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
SCHEMBL4970118 0.90 MEN1 (0.52) MEN1KMT2AMAPTHTTLMNA
SCHEMBL4977786 0.90 NPY1R (0.54) MAPT
SCHEMBL402272 0.87 MAPT (0.67) MEN1KMT2AMAPT
SCHEMBL4970953 0.81 DGAT1 (0.55) MEN1KMT2AMAPTHTTLMNA
SCHEMBL404320 0.80 MAPT (0.54) MEN1KMT2AMAPT
SCHEMBL402353 0.79 MAPT (0.52) MEN1KMT2AMAPTKDM4ESMN1; SMN2
SCHEMBL4970505 0.77 POLB (0.57) MEN1KMT2AMAPTHTTLMNA
SCHEMBL4975360 0.77 CYP2C9 (0.56)
SCHEMBL1018498 0.76 ALB (0.65) MAPTKDM4EALDH1A1
SCHEMBL4969552 0.76 MAPT (0.60) MEN1KMT2AMAPTKDM4EHTT

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-1957461-A1 BISAMIDE INHIBITORS OF HEDGEHOG SIGNALING Genentech, Inc. (US) 2008-08-20 EP disclosed
WO-2007059157-A1 BISAMIDE INHIBITORS OF HEDGEHOG SIGNALING GENENTECH, INC. (US) 2007-05-24 WO disclosed