SCHEMBL13679711

SCHEMBL13679711

COCC(=O)Nc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1

nearest known ligand 0.74

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 3/20 0.74
▸ RXFP1 Q9HBX9 1/20 0.74
▸ MAPT P10636 6/20 0.73
▸ LMNA P02545 2/20 0.73
▸ GAA P10253 1/20 0.73
▸ MEN1 O00255 2/20 0.60
▸ HTT P42858 2/20 0.60
▸ KMT2A Q03164 2/20 0.60
▸ KDM4E B2RXH2 1/20 0.56
▸ ALDH1A1 P00352 1/20 0.56

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
SCHEMBL13679606 0.88 MAPT (0.66) TP53RXFP1MAPTLMNAGAA
SCHEMBL14615275 0.86 MAPT (0.80) TP53RXFP1MAPTLMNAGAA
SCHEMBL13679563 0.85 TP53 (0.74) TP53RXFP1MAPTLMNAGAA
SCHEMBL13679567 0.85 TP53 (1.00) TP53RXFP1MAPTLMNAGAA
SCHEMBL14642393 0.84 TP53 (0.72) TP53RXFP1MAPTLMNAGAA
SCHEMBL13679584 0.83 TP53 (0.65) TP53RXFP1MAPTLMNAGAA
SCHEMBL13679578 0.83 MAPT (0.73) TP53RXFP1MAPTLMNAGAA
SCHEMBL13679545 0.83 KDR (0.66) TP53RXFP1MAPTLMNAGAA
SCHEMBL14615298 0.82 MAPT (0.72) TP53RXFP1MAPTLMNAGAA
SCHEMBL14642440 0.81 MAPT (0.71) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1482928-B1 MEDIATORS OF HEDGEHOG SIGNALING PATHWAYS,COMPOSITIONS AND USES RELATED THERETO CURIS INC (US) 2009-09-23 — — EP disclosed
Send feedback