SCHEMBL4970210

SCHEMBL4970210

C[C@@H]1CN(Cc2ccc(C(=O)Nc3ccc(Cl)c(Nc4cccc(Cl)c4)c3)cn2)C[C@H](C)N1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMO Q99835 1/20 0.62
P4HTM Q9NXG6 1/20 0.44
CHRNB2 P17787 1/20 0.42
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
CHRNA4 P43681 1/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41
BRAF P15056 2/20 0.41
HIF1A Q16665 1/20 0.40
EPAS1 Q99814 1/20 0.40
NAMPT P43490 2/20 0.40
HDAC1 Q13547 1/20 0.39
P2RY12 Q9H244 1/20 0.39
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.38
MAPK7 Q13164 1/20 0.38
MLLT1 Q03111 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
SCHEMBL400165 0.91 SMO (0.75) SMOP4HTMKMT2AMEN1HIF1A
SCHEMBL15865032 0.86 SMO (0.82) SMOP4HTMCHRNB2CHRNB4CHRNA3
SCHEMBL4973693 0.86 MAPK7 (0.50) SMOP4HTMLMNABRAFHIF1A
SCHEMBL4973956 0.86 SMO (0.47) SMOP4HTMKMT2AMEN1MAPT
SCHEMBL4971496 0.84 SMN1; SMN2 (0.47) SMOP4HTMKMT2AMEN1MAPT
SCHEMBL14530571 0.81 SMO (0.62) SMOP4HTMKMT2AMEN1MAPT
SCHEMBL4969513 0.78 SMO (0.73) SMOKMT2AMEN1MAPTLMNA
SCHEMBL4968510 0.78 MAPK7 (0.52) MAPTLMNABRAFHIF1AEPAS1
SCHEMBL4972109 0.78 SMO (0.75) SMOMAPTLMNAHDAC1ALDH1A1
SCHEMBL4970168 0.78 SMO (0.72) SMOCHRNB4CHRNA3HDAC1

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