SCHEMBL27322188

SCHEMBL27322188

CSc1ccc(NC(=O)c2noc(C)c2C(=O)O)cc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 3/20 0.59
▸ LMNA P02545 3/20 0.46
▸ GFER P55789 1/20 0.46
▸ RECQL P46063 1/20 0.46
▸ KMT2A Q03164 1/20 0.44
▸ MAPK1 P28482 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ TP53 P04637 2/20 0.43
▸ GAA P10253 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ ALOX15 P16050 1/20 0.42
▸ CASP1 P29466 1/20 0.42
▸ CASP7 P55210 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ GHSR Q92847 1/20 0.42

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
SCHEMBL27319189 0.85 GFER (0.49) PTGS2LMNAGFERRECQLKMT2A
SCHEMBL27311725 0.81 ALDH1A1 (0.48) LMNAGFERKMT2ATP53GAA
SCHEMBL28148161 0.81 NPC1 (0.56) PTGS2LMNAGFERMAPK1SMN1; SMN2
SCHEMBL27408901 0.81 KMT2A (0.49) GFERKMT2ASMN1; SMN2TP53ALDH1A1
SCHEMBL27315064 0.81 ALDH1A1 (0.50) LMNAGFERKMT2ATP53ALDH1A1
SCHEMBL27325273 0.81 KMT2A (0.54) PTGS2LMNAGFERKMT2AMAPK1
SCHEMBL27315061 0.79 CYP1A2 (0.49) GFERKMT2ASMN1; SMN2
SCHEMBL27309740 0.79 KMT2A (0.50) PTGS2GFERKMT2ATP53ALDH1A1
SCHEMBL27315971 0.78 TP53 (0.46) LMNAGFERRECQLKMT2ASMN1; SMN2
SCHEMBL27318291 0.77 PKM (0.52) LMNAGFERRECQLKMT2ASMN1; SMN2

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
CN-1051074-C Isoxazole-4-carboxamides and hydroxyalkylidenecyanoacetamides pharmaceuticals containing these compounds and their use HOECHST AG (DE) 2000-04-05 — — CN disclosed
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