SCHEMBL4969173

SCHEMBL4969173

O=C(Nc1ccc(Cl)c(Nc2ccc(Cl)cc2)c1)c1ccc(Cl)nc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 9/20 0.63
KCNQ2 O43526 9/20 0.63
KCNE1 P15382 7/20 0.63
KCNQ1 P51787 7/20 0.63
MAPT P10636 5/20 0.57
LMNA P02545 4/20 0.57
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
HTT P42858 2/20 0.57
NPSR1 Q6W5P4 1/20 0.57
SMN1; SMN2 Q16637 4/20 0.56
RAB9A P51151 2/20 0.56
ALDH1A1 P00352 3/20 0.53
KDM4E B2RXH2 2/20 0.53
MAPK1 P28482 2/20 0.53
STAT3 P40763 1/20 0.53
P4HTM Q9NXG6 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 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
SCHEMBL4969552 0.91 MAPT (0.60) KCNQ3KCNQ2KCNE1KCNQ1MAPT
SCHEMBL403003 0.91 KCNQ3 (0.68) KCNQ3KCNQ2KCNE1KCNQ1MAPT
SCHEMBL4972665 0.90 KCNQ3 (0.66) KCNQ3KCNQ2KCNE1KCNQ1MAPT
SCHEMBL4967489 0.84 KMT2A (0.63) KCNQ3KCNQ2KCNE1KCNQ1MAPT
SCHEMBL1986996 0.84 KCNQ3 (0.82) KCNQ3KCNQ2KCNE1KCNQ1MAPT
SCHEMBL3134896 0.83 KCNQ3 (0.78) KCNQ3KCNQ2KCNE1KCNQ1MAPT
SCHEMBL403184 0.82 KCNQ3 (0.67) KCNQ3KCNQ2KCNE1KCNQ1MAPT
SCHEMBL402589 0.82 KCNQ3 (0.71) KCNQ3KCNQ2KCNE1KCNQ1MAPT
SCHEMBL404209 0.81 SMN1; SMN2 (0.74) KCNQ3KCNQ2KCNE1KCNQ1MAPT
SCHEMBL401818 0.81 KCNQ3 (0.71) KCNQ3KCNQ2KCNE1KCNQ1MAPT

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