SCHEMBL4967489

SCHEMBL4967489

Cc1cccc(Nc2cc(NC(=O)c3ccc(Cl)nc3)ccc2Cl)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.63
MEN1 O00255 7/20 0.63
SMN1; SMN2 Q16637 6/20 0.63
LMNA P02545 5/20 0.63
ALDH1A1 P00352 5/20 0.63
RAB9A P51151 3/20 0.59
CYP1A2 P05177 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
MAPT P10636 5/20 0.55
KDM4E B2RXH2 3/20 0.55
MAPK1 P28482 3/20 0.55
STAT3 P40763 1/20 0.55
KCNQ3 O43525 3/20 0.52
KCNQ2 O43526 3/20 0.52
KCNE1 P15382 2/20 0.52
KCNQ1 P51787 2/20 0.52
HTT P42858 3/20 0.52
NPSR1 Q6W5P4 1/20 0.52

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
SCHEMBL259296 0.89 KMT2A (0.80) KMT2AMEN1SMN1; SMN2LMNAALDH1A1
SCHEMBL403487 0.88 SMN1; SMN2 (0.60) KMT2AMEN1SMN1; SMN2LMNAALDH1A1
SCHEMBL4969552 0.88 MAPT (0.60) KMT2AMEN1SMN1; SMN2LMNAALDH1A1
SCHEMBL4969173 0.84 KCNQ3 (0.63) KMT2AMEN1SMN1; SMN2LMNAALDH1A1
SCHEMBL404209 0.83 SMN1; SMN2 (0.74) KMT2AMEN1SMN1; SMN2LMNAALDH1A1
SCHEMBL4972665 0.82 KCNQ3 (0.66) SMN1; SMN2RAB9AMAPTKCNQ3KCNQ2
SCHEMBL4971603 0.81 GAA (0.52) KMT2AMEN1SMN1; SMN2LMNAALDH1A1
SCHEMBL4969513 0.81 SMO (0.73) KMT2AMEN1SMN1; SMN2LMNAALDH1A1
SCHEMBL403184 0.79 KCNQ3 (0.67) KMT2AMEN1SMN1; SMN2LMNAALDH1A1
SCHEMBL402589 0.79 KCNQ3 (0.71) KMT2AMEN1SMN1; SMN2LMNAALDH1A1

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