SCHEMBL13679578

SCHEMBL13679578

COc1cccc(CC(=O)Nc2ccc(Cl)c(-c3nc4ccccc4[nH]3)c2)c1

nearest known ligand 0.73

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.73
▸ LMNA P02545 2/20 0.67
▸ MEN1 O00255 2/20 0.65
▸ KMT2A Q03164 2/20 0.65
▸ TP53 P04637 3/20 0.65
▸ RXFP1 Q9HBX9 1/20 0.65
▸ GAA P10253 1/20 0.62
▸ KDR P35968 1/20 0.54
▸ HTT P42858 1/20 0.53

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
SCHEMBL14615285 0.88 MAPT (0.73) MAPTLMNAMEN1KMT2ATP53
SCHEMBL14642393 0.88 TP53 (0.72) MAPTLMNAMEN1KMT2ATP53
SCHEMBL13679584 0.87 TP53 (0.65) MAPTLMNAMEN1KMT2ATP53
SCHEMBL14642416 0.86 MAPT (0.79) MAPTLMNAMEN1KMT2ATP53
SCHEMBL14615287 0.86 TP53 (0.62) MAPTLMNAMEN1KMT2ATP53
SCHEMBL13679545 0.85 KDR (0.66) MAPTLMNAMEN1KMT2ATP53
SCHEMBL13679711 0.83 TP53 (0.74) MAPTLMNAMEN1KMT2ATP53
SCHEMBL14615294 0.82 MAPT (0.61) MAPTLMNAMEN1KMT2ATP53
SCHEMBL14642405 0.82 MAPT (0.73) MAPTLMNAMEN1KMT2ATP53
SCHEMBL14615298 0.82 MAPT (0.72) MAPTLMNAMEN1KMT2ATP53

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8772275-B2 Mediators of hedgehog signaling pathways, compositions and uses related thereto CURIS, INC. (US) 2014-07-08 — — US disclosed
US-8354397-B2 Controlling cell differentiation, cell proliferation; anticancer agents CURIS, INC. (US) 2013-01-15 — — US disclosed
EP-1482928-B1 MEDIATORS OF HEDGEHOG SIGNALING PATHWAYS,COMPOSITIONS AND USES RELATED THERETO CURIS INC (US) 2009-09-23 — — EP disclosed
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