SCHEMBL11280875

SCHEMBL11280875

CC(C)(C)C(=O)Oc1ccc(NC(=O)c2c(CO)c3ccccc3[nH]c2=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 1/20 0.48
KDM4E B2RXH2 5/20 0.45
ALDH1A1 P00352 2/20 0.45
LMNA P02545 1/20 0.45
MEN1 O00255 7/20 0.44
KMT2A Q03164 7/20 0.44
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
ADORA3 P0DMS8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
EGFR P00533 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
NLRP3 Q96P20 1/20 0.40
BRD4 O60885 1/20 0.40
CFTR P13569 2/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 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
SCHEMBL11983219 0.86 KDM4E (0.60) SERPINE1KDM4EALDH1A1LMNAMEN1
SCHEMBL11983190 0.84 CFTR (0.53) SERPINE1KDM4EALDH1A1LMNAMEN1
SCHEMBL11284523 0.82 KDM4E (0.50) SERPINE1KDM4EALDH1A1LMNAMEN1
SCHEMBL11280137 0.82 EGFR (0.56) SERPINE1KDM4EMEN1KMT2ANPC1
SCHEMBL11285157 0.81 EGFR (0.49) SERPINE1KDM4EMEN1KMT2ANPC1
SCHEMBL11292150 0.81 KDM4E (0.50) SERPINE1KDM4EALDH1A1LMNAMEN1
SCHEMBL11291470 0.80 ADORA3 (0.55) SERPINE1KDM4EALDH1A1LMNAMEN1
SCHEMBL11983218 0.80 SERPINE1 (0.51) SERPINE1KDM4EALDH1A1LMNAMEN1
SCHEMBL11282857 0.80 ROCK2 (0.47) SERPINE1KDM4EALDH1A1LMNAMEN1
SCHEMBL11983214 0.80 L3MBTL1 (0.57) SERPINE1MEN1KMT2ANPC1RAB9A

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-0059698-A1 Heterocyclic carboxamides, compositions containing such compounds, processes for their preparation and methods of treatment therewith AB LEO (SE) 1982-09-08 EP disclosed