SCHEMBL13679606

SCHEMBL13679606

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

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.66
▸ LMNA P02545 3/20 0.66
▸ GAA P10253 1/20 0.66
▸ LDLR P01130 2/20 0.65
▸ TP53 P04637 4/20 0.58
▸ RXFP1 Q9HBX9 1/20 0.58
▸ KDM4E B2RXH2 2/20 0.55
▸ MEN1 O00255 2/20 0.55
▸ POLB P06746 2/20 0.55
▸ KMT2A Q03164 2/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ NPC1 O15118 1/20 0.55
▸ NPSR1 Q6W5P4 1/20 0.55
▸ ALDH1A1 P00352 1/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ THRB P10828 1/20 0.53

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
SCHEMBL13679711 0.88 TP53 (0.74) MAPTLMNAGAATP53RXFP1
SCHEMBL13679620 0.85 LDLR (0.65) MAPTLMNAGAALDLRTP53
SCHEMBL9041899 0.81 KDM4E (0.62) MAPTLMNAGAATP53KDM4E
SCHEMBL13679715 0.80 MAPT (0.69) MAPTLMNATP53MEN1KMT2A
SCHEMBL27310368 0.80 ITK (0.51) MAPTLMNAGAALDLRTP53
SCHEMBL14615275 0.79 MAPT (0.80) MAPTLMNAGAATP53RXFP1
SCHEMBL14615299 0.76 MAPT (0.66) MAPTTP53KDM4EMEN1KMT2A
SCHEMBL13456646 0.76 MAPT (0.58) MAPTLMNAGAALDLRTP53
SCHEMBL13679559 0.76 MEN1 (0.78) MAPTLDLRTP53MEN1KMT2A
SCHEMBL13679573 0.75 ADORA2A (0.57) MAPTLDLRKDM4EMEN1POLB

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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