SCHEMBL14642440

SCHEMBL14642440

COc1cc(NC(=O)Nc2ccc(Cl)c(-c3nc4ccccc4[nH]3)c2)cc(OC)c1

nearest known ligand 0.74

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.71
▸ TP53 P04637 3/20 0.63
▸ RXFP1 Q9HBX9 1/20 0.63
▸ LMNA P02545 2/20 0.60
▸ GAA P10253 1/20 0.60
▸ MEN1 O00255 1/20 0.58
▸ HTT P42858 1/20 0.58
▸ KMT2A Q03164 1/20 0.58
▸ SMO Q99835 2/20 0.58

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
SCHEMBL14642416 0.93 MAPT (0.79) MAPTTP53RXFP1LMNAGAA
SCHEMBL14615298 0.93 MAPT (0.72) MAPTTP53RXFP1LMNAGAA
SCHEMBL1268279 0.89 MAPT (0.85) MAPTTP53RXFP1LMNAMEN1
SCHEMBL13679605 0.88 MAPT (0.64) MAPTTP53RXFP1LMNAGAA
SCHEMBL14642411 0.86 TP53 (0.66) MAPTTP53RXFP1LMNAGAA
SCHEMBL13679609 0.86 TP53 (0.68) MAPTTP53RXFP1LMNAMEN1
SCHEMBL13679601 0.85 MAPT (0.82) MAPTTP53RXFP1LMNAGAA
SCHEMBL14615295 0.83 TP53 (0.64) MAPTTP53RXFP1LMNAMEN1
SCHEMBL14642403 0.83 MAPT (0.70) MAPTTP53RXFP1MEN1HTT
SCHEMBL14642405 0.83 MAPT (0.73) MAPTTP53RXFP1LMNAGAA

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
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
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