SCHEMBL13747638

SCHEMBL13747638

Cc1cc(F)cc(/C=C2\SC(N3CCC[C@@H]3CO)=NC2=O)c1O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 11/20 0.41
▸ KMT2A Q03164 11/20 0.41
▸ POLB P06746 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ NPC1 O15118 3/20 0.40
▸ RAB9A P51151 2/20 0.38
▸ PSMD14 O00487 1/20 0.38
▸ AMY1A P0DUB6 1/20 0.37
▸ TACR1 P25103 1/20 0.36
▸ TACR3 P29371 1/20 0.36
▸ GRIN1 Q05586 1/20 0.36
▸ GRIN2B Q13224 1/20 0.36
▸ MAPT P10636 1/20 0.35
▸ GFER P55789 1/20 0.35

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
SCHEMBL13747229 1.00 MEN1 (0.41) MEN1KMT2APOLBKDM4ETDP1
SCHEMBL13616362 0.92 MEN1 (0.39) MEN1KMT2APOLBKDM4ETDP1
SCHEMBL3425534 0.84 MEN1 (0.44) MEN1KMT2APOLBKDM4ETDP1
SCHEMBL3425537 0.84 MEN1 (0.44) MEN1KMT2APOLBKDM4ETDP1
SCHEMBL3429057 0.82 GRIN1 (0.45) MEN1KMT2APOLBKDM4ETDP1
SCHEMBL3400342 0.82 GRIN1 (0.45) MEN1KMT2APOLBKDM4ETDP1
SCHEMBL3400337 0.82 GRIN1 (0.45) MEN1KMT2APOLBKDM4ETDP1
SCHEMBL3429056 0.82 GRIN1 (0.45) MEN1KMT2APOLBKDM4ETDP1
SCHEMBL13616364 0.79 MEN1 (0.43) MEN1KMT2APOLBNPC1RAB9A
SCHEMBL13616363 0.79 MEN1 (0.43) MEN1KMT2APOLBNPC1RAB9A

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-2009097695-A1 ARYLMETHYLIDENE HETEROCYCLES AS NOVEL ANALGESICS CHLORION PHARMA, INC. (CA) 2009-08-13 — — WO disclosed
Send feedback