SCHEMBL2719037

SCHEMBL2719037

CC(C)(C)c1cc(NC(=O)N2CCN(c3ncccc3OCc3ccnc(N)n3)CC2)c(F)cc1F

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ RBP4 P02753 3/20 0.44
▸ ALDH1A1 P00352 2/20 0.42
▸ PKM P14618 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ GAA P10253 1/20 0.41
▸ HSD17B10 Q99714 2/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ TRPV1 Q8NER1 4/20 0.40
▸ TRPA1 O75762 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ TRPM8 Q7Z2W7 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ USP2 O75604 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ P2RY1 P47900 1/20 0.38
▸ HCAR2 Q8TDS4 1/20 0.38

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
SCHEMBL2733022 0.90 TRPV1 (0.45) RBP4ALDH1A1PKMMEN1KMT2A
SCHEMBL2716871 0.90 NPSR1 (0.47) RBP4HSD17B10NPSR1TRPV1TRPA1
SCHEMBL4562323 0.88 MEN1 (0.43) RBP4ALDH1A1PKMMEN1KMT2A
SCHEMBL2383852 0.86 RBP4 (0.53) RBP4ALDH1A1PKMMEN1KMT2A
SCHEMBL2382710 0.86 TRPV1 (0.51) RBP4ALDH1A1PKMMEN1KMT2A
SCHEMBL2385822 0.86 TRPV1 (0.46) RBP4ALDH1A1PKMMEN1KMT2A
SCHEMBL2384857 0.86 MEN1 (0.43) RBP4ALDH1A1PKMMEN1KMT2A
SCHEMBL2719957 0.85 PANK3 (0.43) RBP4ALDH1A1PKMMEN1KMT2A
SCHEMBL2717889 0.85 TRPV1 (0.45) HSD17B10NPSR1TRPV1TRPA1KCNH2
SCHEMBL2717862 0.85 NPSR1 (0.46) RBP4HSD17B10NPSR1TRPV1TRPA1

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