SCHEMBL13679545

SCHEMBL13679545

COc1cc(CC(=O)Nc2ccc(Cl)c(-c3nc4ccccc4[nH]3)c2)cc(OC)c1OC

nearest known ligand 0.75

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 1/20 0.66
▸ TP53 P04637 3/20 0.65
▸ RXFP1 Q9HBX9 1/20 0.65
▸ MAPT P10636 6/20 0.61
▸ LMNA P02545 2/20 0.59
▸ GAA P10253 1/20 0.59
▸ MEN1 O00255 2/20 0.55
▸ HTT P42858 2/20 0.55
▸ KMT2A Q03164 2/20 0.55
▸ FOXO1 Q12778 1/20 0.54

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
SCHEMBL14615294 0.95 MAPT (0.61) KDRTP53RXFP1MAPTLMNA
SCHEMBL13679584 0.91 TP53 (0.65) KDRTP53RXFP1MAPTLMNA
SCHEMBL14615287 0.88 TP53 (0.62) TP53RXFP1MAPTLMNAGAA
SCHEMBL12831265 0.86 MAPT (0.73) TP53RXFP1MAPTMEN1HTT
SCHEMBL14642393 0.85 TP53 (0.72) TP53RXFP1MAPTLMNAGAA
SCHEMBL13679578 0.85 MAPT (0.73) KDRTP53RXFP1MAPTLMNA
SCHEMBL13679711 0.83 TP53 (0.74) TP53RXFP1MAPTLMNAGAA
SCHEMBL14615285 0.82 MAPT (0.73) TP53RXFP1MAPTLMNAGAA
SCHEMBL14642403 0.80 MAPT (0.70) TP53RXFP1MAPTMEN1HTT
SCHEMBL13679605 0.79 MAPT (0.64) TP53RXFP1MAPTLMNAGAA

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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