SCHEMBL7434346

SCHEMBL7434346

COCc1nc(C)c(CCC(=O)O)c(=O)[nH]1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
PARP1 P09874 2/20 0.41
PARP2 Q9UGN5 2/20 0.41
CCNE1 P24864 1/20 0.41
CDK2 P24941 1/20 0.41
ALDH1A1 P00352 5/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 3/20 0.40
HSD17B10 Q99714 3/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HPGD P15428 2/20 0.39
PKM P14618 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL7428453 0.85 ALDH1A1 (0.52) LMNASMN1; SMN2ALDH1A1MEN1GAA
SCHEMBL22587313 0.84 TP53 (0.47) LMNAPARP1PARP2ALDH1A1MEN1
SCHEMBL22587339 0.79 KDM4E (0.49) SMN1; SMN2PARP1PARP2ALDH1A1MEN1
SCHEMBL22587286 0.76 KMT2A (0.59) PARP1PARP2ALDH1A1MEN1GAA
SCHEMBL22587273 0.74 CYP2C9 (0.58) LMNAALDH1A1KDM4EHSD17B10NPSR1
SCHEMBL22599063 0.74 PKM (0.44) LMNASMN1; SMN2PARP1PARP2ALDH1A1
SCHEMBL22598628 0.74 HSD17B10 (0.41) LMNAPARP1PARP2ALDH1A1MEN1
SCHEMBL18294954 0.73 SMN1; SMN2 (0.55) LMNASMN1; SMN2CCNE1CDK2ALDH1A1
SCHEMBL22587312 0.71 KDM4E (0.40) LMNAPARP1PARP2ALDH1A1MEN1
SCHEMBL22587326 0.71 ALDH1A1 (0.55) LMNAALDH1A1MEN1GAAKMT2A

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-0618207-B1 Substituted pyridopyrimidines as antihypertensives AMERICAN HOME PROD (US) 1999-01-07 EP disclosed