SCHEMBL9716698

SCHEMBL9716698

Nc1ccc(C(=O)c2ccccc2NCC(=O)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 3/20 0.49
KDM4E B2RXH2 2/20 0.49
RAB9A P51151 1/20 0.49
MAPT P10636 2/20 0.49
HIF1A Q16665 1/20 0.49
SLC22A6 Q4U2R8 1/20 0.49
SLC22A8 Q8TCC7 1/20 0.49
ALDH1A1 P00352 4/20 0.47
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
GAA P10253 1/20 0.45
HPGD P15428 2/20 0.43
HSD17B10 Q99714 2/20 0.43
POLB P06746 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPK13 O15264 4/20 0.43
MAPK12 P53778 4/20 0.43
MAPK11 Q15759 4/20 0.43
MAPK14 Q16539 4/20 0.43

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
SCHEMBL698881 0.89 AGTR1 (0.60) AGTR1KDM4ERAB9AMAPTALDH1A1
SCHEMBL9716675 0.86 LIG1 (0.53) AGTR1KDM4ERAB9AMAPTALDH1A1
SCHEMBL6174044 0.85 AGTR1 (0.59) AGTR1KDM4ERAB9AMAPTALDH1A1
SCHEMBL10660692 0.85 AGTR1 (0.59) AGTR1KDM4ERAB9AMAPTALDH1A1
SCHEMBL8923851 0.85 AKR1C3 (0.57) AGTR1KDM4ERAB9AALDH1A1KMT2A
SCHEMBL10659074 0.81 KMT2A (0.48) AGTR1KDM4ERAB9AALDH1A1KMT2A
SCHEMBL6570855 0.81 KMT2A (0.64) KDM4EMAPTALDH1A1KMT2AMEN1
SCHEMBL1499127 0.77 AGTR1 (0.60) AGTR1KDM4ERAB9AMAPTALDH1A1
SCHEMBL341645 0.77 KDM4E (0.71) AGTR1KDM4ERAB9AMAPTALDH1A1
SCHEMBL29620333 0.77 KDM4E (0.71) AGTR1KDM4ERAB9AMAPTALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0178911-B1 COMPOSITION CONTAINING A PENEM OR CARBAPENEM ANTIBIOTIC SANKYO COMPANY LIMITED (JP) 1992-01-22 EP disclosed
US-4757066-A Reduces renal toxicity SANKYO COMPANY LIMITED (JP) 1988-07-12 US disclosed
EP-0178911-A2 Composition containing a penem or carbapenem antibiotic SANKYO COMPANY LIMITED (JP) 1986-04-23 EP disclosed