SCHEMBL16488510

SCHEMBL16488510

COC(=O)CCSc1cnc(N)c(C)c1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CXCR1 P25024 1/20 0.38
▸ CXCR2 P25025 1/20 0.38
▸ NOS3 P29474 1/20 0.38
▸ NOS1 P29475 1/20 0.38
▸ NOS2 P35228 1/20 0.38
▸ MAPT P10636 2/20 0.37
▸ POLB P06746 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ PTGS1 P23219 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ APP P05067 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ GSTP1 P09211 1/20 0.34
▸ GSTM2 P28161 1/20 0.34

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
SCHEMBL9072457 0.79 CYP1A2 (0.40) MAPTKMT2AALDH1A1L3MBTL1
SCHEMBL2668579 0.78 ATM (0.39) MAPTKMT2AALDH1A1
SCHEMBL16429390 0.77 HSD17B10 (0.36) CXCR1CXCR2MAPTPOLBKMT2A
SCHEMBL9072456 0.76 CXCR1 (0.45) CXCR1CXCR2MAPTL3MBTL1
SCHEMBL24883553 0.75 ATM (0.45) CXCR1CXCR2MAPTPOLBKMT2A
SCHEMBL15196329 0.75 ALDH1A1 (0.39) MAPTPOLBKMT2AALDH1A1HSD17B10
SCHEMBL14485982 0.75 CXCR1 (0.40) CXCR1CXCR2MAPTPOLBKMT2A
SCHEMBL23167730 0.74 CXCR1 (0.42) CXCR1CXCR2MAPTPOLBKMT2A
SCHEMBL24635805 0.73 GSTP1 (0.38) CXCR1CXCR2MAPTPOLBKMT2A
SCHEMBL9400123 0.73 PTGS1 (0.46) MAPTPOLBPTGS1ALDH1A1L3MBTL1

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-2013204-B1 2-AMINOPYRIDINE ANALOGS AS GLUCOKINASE ACTIVATORS ARRAY BIOPHARMA INC (US) 2015-02-18 — — EP disclosed
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