SCHEMBL13679571

SCHEMBL13679571

Nc1ccc(NC(=S)Nc2ccc(Cl)c(Cl)c2)cc1-c1nc2ccccc2[nH]1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.53
RXFP1 Q9HBX9 1/20 0.53
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
HTT P42858 2/20 0.51
MAPT P10636 5/20 0.49
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 2/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
GLA P06280 1/20 0.49
GAA P10253 1/20 0.49
HPGD P15428 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
HSD17B10 Q99714 1/20 0.49
ADORA2A P29274 1/20 0.48
KDR P35968 1/20 0.48
EPHB4 P54760 1/20 0.48
TEK Q02763 1/20 0.48

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
SCHEMBL14642400 0.91 TP53 (0.62) TP53RXFP1MEN1KMT2AHTT
SCHEMBL13679713 0.84 TP53 (0.62) TP53RXFP1MEN1KMT2AHTT
SCHEMBL13679598 0.83 TP53 (0.61) TP53RXFP1MEN1KMT2AHTT
SCHEMBL13679613 0.81 TP53 (0.64) TP53RXFP1MEN1KMT2AHTT
SCHEMBL14642446 0.80 TP53 (0.60) TP53RXFP1MEN1KMT2AHTT
SCHEMBL13679615 0.79 MEN1 (0.70) TP53RXFP1MEN1KMT2AHTT
SCHEMBL14642401 0.79 TP53 (0.58) TP53RXFP1MEN1KMT2AHTT
SCHEMBL14642437 0.77 ALDH1A1 (0.66) TP53RXFP1MEN1KMT2AHTT
SCHEMBL13679712 0.77 ALDH1A1 (0.75) TP53RXFP1MEN1KMT2AHTT
SCHEMBL14642405 0.77 MAPT (0.73) TP53RXFP1MEN1KMT2AHTT

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