SCHEMBL5485473

SCHEMBL5485473

CN(C(=O)NC1CCCC1)c1cnc(N2CCOCC2)nc1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.43
▸ BRAF P15056 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.40
▸ PKM P14618 1/20 0.40
▸ CNR2 P34972 3/20 0.40
▸ BTK Q06187 3/20 0.39
▸ HSD11B1 P28845 3/20 0.39
▸ GAA P10253 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ MAPK1 P28482 1/20 0.38
▸ BMPR1B O00238 1/20 0.38
▸ BMPR1A P36894 1/20 0.38
▸ TGFBR1 P36897 1/20 0.38
▸ ACVRL1 P37023 1/20 0.38
▸ ACVR1 Q04771 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ PTPN11 Q06124 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
SCHEMBL3114922 0.76 NAPEPLD (0.46) PKMCNR2MAPK1
SCHEMBL5485475 0.76 POLB (0.43) POLBBRAFALDH1A1CNR2BTK
SCHEMBL1014624 0.72 HSD11B1 (0.62) POLBBRAFCNR2HSD11B1LMNA
SCHEMBL1014425 0.71 HSD11B1 (0.61) POLBBRAFALDH1A1CNR2HSD11B1
SCHEMBL1015182 0.71 HSD11B1 (0.61) POLBBRAFALDH1A1CNR2HSD11B1
SCHEMBL4140382 0.70 MERTK (0.53) POLBBRAFALDH1A1HSD11B1LMNA
SCHEMBL4139629 0.70 MERTK (0.52) POLBBRAFALDH1A1HSD11B1LMNA
SCHEMBL31364757 0.70 POLB (0.60) POLBALDH1A1HTTMAPK1KDM4E
SCHEMBL15866476 0.69 POLB (0.57) POLBBRAFALDH1A1CNR2GAA
SCHEMBL27681040 0.69 ALDH1A1 (0.76) POLBALDH1A1CNR2LMNAHTT

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
EP-1819341-A2 IL-12 MODULATORY COMPOUNDS Synta Pharmaceuticals Corporation (US) 2007-08-22 — — EP disclosed
WO-2006053227-A2 IL-12 MODULATORY COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2006-05-18 — — WO disclosed
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