SCHEMBL9382602

SCHEMBL9382602

O=C(O)NC(Cc1ccccc1)C(=O)NC1CCNC1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.52
KDM4E B2RXH2 1/20 0.48
RAB9A P51151 1/20 0.48
CTSL P07711 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KIFC1 Q9BW19 2/20 0.46
AVPR1A P37288 2/20 0.46
KDM1A O60341 1/20 0.46
FPR2 P25090 1/20 0.43
MMP1 P03956 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 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
SCHEMBL9382599 1.00 ALDH1A1 (0.52) ALDH1A1KDM4ERAB9ACTSLL3MBTL1
SCHEMBL9383807 0.84 CTSS (0.58) CTSL
SCHEMBL9383811 0.84 CTSS (0.58) CTSL
SCHEMBL4763256 0.82 ALDH1A1 (0.45) ALDH1A1KDM4ECTSLL3MBTL1FPR2
SCHEMBL4763260 0.82 ALDH1A1 (0.45) ALDH1A1KDM4ECTSLL3MBTL1FPR2
SCHEMBL34468338 0.76 EPHX2 (0.62) ALDH1A1KDM1AMEN1KMT2A
SCHEMBL15055182 0.76 EPHX2 (0.62) ALDH1A1KDM1AMEN1KMT2A
SCHEMBL30718482 0.76 EPHX2 (0.62) ALDH1A1KDM1AMEN1KMT2A
SCHEMBL27002666 0.76 ALDH1A1 (0.54) ALDH1A1KDM4ERAB9ACTSLL3MBTL1
SCHEMBL27125782 0.76 ALDH1A1 (0.54) ALDH1A1KDM4ERAB9ACTSLL3MBTL1

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-0304087-B1 Quinolone and naphthyridine antibacterial agents containing an alpha-amino acid in the side chain of the 7-substituent WARNER LAMBERT CO (US) 1994-03-30 EP disclosed
US-4851418-A Naphthyridine antibacterial agents containing an α-amino acid in the side chain of the 7-substituent WARNER-LAMBERT COMPANY (US) 1989-07-25 US disclosed
EP-0304087-A2 Quinolone and naphthyridine antibacterial agents containing an alpha-amino acid in the side chain of the 7-substituent WARNER-LAMBERT COMPANY (US) 1989-02-22 EP disclosed