SCHEMBL31703

SCHEMBL31703

COc1ccc(CN2CC(=O)NC2=O)cc1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.47
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 4/20 0.43
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
CFD P00746 1/20 0.41
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 3/20 0.40
MYC P01106 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL31947 0.89 LMNA (0.44) LMNASMN1; SMN2GAAKMT2AALDH1A1
SCHEMBL9165337 0.84 LMNA (0.54) LMNASMN1; SMN2GAAKMT2AALDH1A1
SCHEMBL9819563 0.81 ALDH1A1 (0.49) LMNAGAAKMT2AALDH1A1MEN1
SCHEMBL12636166 0.76 KMT2A (0.52) MRGPRX4LMNASMN1; SMN2KMT2AALDH1A1
SCHEMBL31944 0.75 PPARA (0.47) MAPT
SCHEMBL31929 0.74 PDE4A (0.44) SMN1; SMN2ALDH1A1
SCHEMBL6101068 0.74 GAA (0.73) SMN1; SMN2GAAKMT2AALDH1A1MEN1
SCHEMBL6866159 0.73 CFD (0.70) MRGPRX4GAACFDALDH1A1KDM4E
SCHEMBL20189519 0.72 RAB9A (0.53) LMNASMN1; SMN2GAAKMT2ACYP4A11
SCHEMBL12837926 0.72 MRGPRX4 (0.57) MRGPRX4GAACYP4F2CYP4A11CFD

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-2012026495-A1 NOVEL HYDANTOIN DERIVATIVE AND MEDICINAL AGENT COMPRISING SAME AS ACTIVE INGREDIENT 杏林製薬株式会社 (JP) 2012-03-01 WO disclosed