SCHEMBL2734070

SCHEMBL2734070

CC(C)(C)c1cccc(NC(=O)C2CCN(c3ncccc3OCc3ccnc(N)n3)CC2)c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 1/20 0.51
▸ MALT1 Q9UDY8 13/20 0.50
▸ KDM4E B2RXH2 2/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ TSHR P16473 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ USP2 O75604 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ TP53 P04637 1/20 0.46
▸ F10 P00742 4/20 0.46

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
SCHEMBL2717542 0.88 MALT1 (0.52) MALT1KDM4EMEN1TSHRKMT2A
SCHEMBL4561882 0.83 TRPV1 (0.47) TRPV1
SCHEMBL2720307 0.80 TRPV1 (0.42) TRPV1MEN1KMT2ALMNAHSD17B10
SCHEMBL2381414 0.79 TRPV1 (0.54) TRPV1KDM4EMEN1KMT2ALMNA
SCHEMBL2717524 0.79 TRPV1 (0.42) TRPV1LMNAHSD17B10L3MBTL1
SCHEMBL2730160 0.78 TRPV1 (0.45) TRPV1MEN1KMT2AHSD17B10
SCHEMBL4561718 0.77 TRPV1 (0.48) TRPV1LMNAHSD17B10
SCHEMBL2717889 0.77 TRPV1 (0.45) TRPV1HSD17B10
SCHEMBL2717511 0.77 PI4KB (0.53) TRPV1LMNAHSD17B10
SCHEMBL2386385 0.76 NPSR1 (0.41) TRPV1HSD17B10

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012061337-A1 FGFR2 MODULATORS EXELIXIS, INC. (US) 2012-05-10 — — WO claimed
WO-2012061337-A1 FGFR2 MODULATORS EXELIXIS, INC. (US) 2012-05-10 — — WO disclosed
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