SCHEMBL13679608

SCHEMBL13679608

S=C(Nc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1)NC1CCCC1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 3/20 0.55
▸ RXFP1 Q9HBX9 1/20 0.55
▸ MAPT P10636 5/20 0.55
▸ MEN1 O00255 3/20 0.55
▸ HTT P42858 3/20 0.55
▸ KMT2A Q03164 3/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ LMNA P02545 1/20 0.55
▸ ALOX12 P18054 1/20 0.55
▸ NPSR1 Q6W5P4 1/20 0.55
▸ KDM4E B2RXH2 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ PDPK1 O15530 1/20 0.51

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
SCHEMBL13679597 0.87 PDPK1 (0.65) TP53RXFP1MAPTMEN1HTT
SCHEMBL13679713 0.84 TP53 (0.62) TP53RXFP1MAPTMEN1HTT
SCHEMBL14642400 0.84 TP53 (0.62) TP53RXFP1MAPTMEN1HTT
SCHEMBL13679613 0.83 TP53 (0.64) TP53RXFP1MAPTMEN1HTT
SCHEMBL13679598 0.83 TP53 (0.61) TP53RXFP1MAPTMEN1HTT
SCHEMBL13679582 0.80 TP53 (0.61) TP53RXFP1MAPTMEN1HTT
SCHEMBL14642446 0.80 TP53 (0.60) TP53RXFP1MAPTMEN1HTT
SCHEMBL13679712 0.79 ALDH1A1 (0.75) TP53RXFP1MAPTMEN1HTT
SCHEMBL14642437 0.79 ALDH1A1 (0.66) TP53RXFP1MAPTMEN1HTT
SCHEMBL13679710 0.79 TP53 (0.67) TP53RXFP1MAPTMEN1HTT

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
Send feedback