SCHEMBL10865616

SCHEMBL10865616

COc1ccc(CSc2nc(C)c(C(N)C=O)n2C)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 5/20 0.47
▸ DAO P14920 1/20 0.46
▸ HPGD P15428 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ LMNA P02545 2/20 0.40
▸ PTGDR2 Q9Y5Y4 1/20 0.40
▸ MMP13 P45452 1/20 0.40
▸ USP2 O75604 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ MAOB P27338 1/20 0.38
▸ DHODH Q02127 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
SCHEMBL10595385 0.80 DAO (0.50) TSHRDAOHPGDKMT2AHSD17B10
SCHEMBL10596953 0.74 DAO (0.50) TSHRDAOHPGDKMT2AHSD17B10
SCHEMBL10595360 0.73 DAO (0.51) TSHRDAOHPGDKMT2AHSD17B10
SCHEMBL10595807 0.71 DAO (0.49) TSHRDAOKMT2AALDH1A1NPC1
SCHEMBL10595197 0.70 DAO (0.47) TSHRDAOHPGDKMT2AHSD17B10
SCHEMBL10595363 0.70 DAO (0.45) TSHRDAOHPGDKMT2AHSD17B10
SCHEMBL10595368 0.70 DAO (0.45) TSHRDAOHPGDKMT2AHSD17B10
SCHEMBL10597054 0.68 DAO (0.46) TSHRDAOHPGDKMT2AHSD17B10
SCHEMBL4291315 0.68 TSHR (0.57) TSHRDAOHPGDKMT2AHSD17B10
SCHEMBL10596975 0.68 DAO (0.43) TSHRDAOHPGDKMT2AHSD17B10

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-0168950-A1 Leukotriene antagonists SMITHKLINE BECKMAN CORPORATION (US) 1986-01-22 — — EP disclosed
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