SCHEMBL13679710

SCHEMBL13679710

O=C(CC1CCCC1)Nc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 3/20 0.67
▸ RXFP1 Q9HBX9 1/20 0.67
▸ LDLR P01130 1/20 0.64
▸ MAPT P10636 6/20 0.61
▸ NPC1 O15118 1/20 0.60
▸ RAB9A P51151 1/20 0.60
▸ SMN1; SMN2 Q16637 1/20 0.60
▸ LMNA P02545 2/20 0.59
▸ GAA P10253 1/20 0.59
▸ MEN1 O00255 2/20 0.57
▸ HTT P42858 2/20 0.57
▸ KMT2A Q03164 2/20 0.57
▸ 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
SCHEMBL13679549 0.90 LDLR (0.78) TP53RXFP1LDLRMAPTLMNA
SCHEMBL13679582 0.84 TP53 (0.61) TP53RXFP1MAPTNPC1RAB9A
SCHEMBL13679597 0.82 PDPK1 (0.65) TP53RXFP1MAPTNPC1RAB9A
SCHEMBL14642393 0.81 TP53 (0.72) TP53RXFP1MAPTLMNAGAA
SCHEMBL13679711 0.81 TP53 (0.74) TP53RXFP1MAPTLMNAGAA
SCHEMBL13679567 0.81 TP53 (1.00) TP53RXFP1MAPTSMN1; SMN2LMNA
SCHEMBL13679563 0.81 TP53 (0.74) TP53RXFP1MAPTLMNAGAA
SCHEMBL13679608 0.79 TP53 (0.55) TP53RXFP1MAPTSMN1; SMN2LMNA
SCHEMBL13679609 0.79 TP53 (0.68) TP53RXFP1MAPTLMNAMEN1
SCHEMBL24507633 0.78 EPHX2 (0.55) TP53LDLRMAPTNPC1RAB9A

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
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