SCHEMBL9735507

SCHEMBL9735507

O=C(O)c1cc2ccc(N3CCCC3)cc2[nH]c1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IP6K1 Q92551 1/20 0.51
SLC16A3 O15427 1/20 0.48
ERCC1 P07992 1/20 0.47
DNASE1 P24855 1/20 0.47
FEN1 P39748 1/20 0.47
ERCC4 Q92889 1/20 0.47
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 3/20 0.44
GAA P10253 2/20 0.44
POLB P06746 1/20 0.44
HSD17B10 Q99714 4/20 0.43
MEN1 O00255 2/20 0.43
HPGD P15428 2/20 0.43
KMT2A Q03164 2/20 0.43
MGLL Q99685 1/20 0.42
PDE3B Q13370 2/20 0.41
PDE3A Q14432 2/20 0.41
DHODH Q02127 1/20 0.41
MAPT P10636 1/20 0.40
ALOX15 P16050 1/20 0.40

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
SCHEMBL31422930 0.99 IP6K1 (0.50) IP6K1SLC16A3ERCC1DNASE1FEN1
SCHEMBL29980141 0.97 SLC16A3 (0.48) IP6K1SLC16A3ERCC1DNASE1FEN1
SCHEMBL9474864 0.89 SLC16A3 (0.49) IP6K1SLC16A3ALDH1A1KDM4EGAA
SCHEMBL31422790 0.83 LMNA (0.44) ERCC1DNASE1FEN1ERCC4ALDH1A1
SCHEMBL9288768 0.83 SLC16A3 (0.41) IP6K1SLC16A3ALDH1A1KDM4EGAA
SCHEMBL9325118 0.79 SMYD3 (0.38) IP6K1SLC16A3ALDH1A1KDM4EGAA
SCHEMBL2082255 0.79 TOP1 (0.47) SLC16A3ALDH1A1KDM4EGAAPOLB
SCHEMBL2082993 0.77 KDM4E (0.37) IP6K1SLC16A3ALDH1A1KDM4EGAA
SCHEMBL2082281 0.77 SMYD3 (0.43) SLC16A3ALDH1A1KDM4EGAAPOLB
SCHEMBL501005 0.76 SLC16A3 (0.38) SLC16A3ALDH1A1KDM4EGAAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-62207269-A None JP disclosed
US-5153204-A Bactericides, animal growth promoters BAYER AKTIENGESELLSCHAFT (DE) 1992-10-06 US disclosed
EP-0235676-B1 7-(1-PYRROLIDINYL)QUINOLONE-CARBOXYLIC-ACID DERIVATIVES BAYER AG (DE) 1990-06-13 EP disclosed
US-4820716-A ANIMAL GROWTH REGULATORS, BACTERICIDES BAYER AKTIENGESELLSCHAFT (DE) 1989-04-11 US disclosed
EP-0235676-A3 7-(1-PYRROLIDINYL)QUINOLONE-CARBOXYLIC-ACID DERIVATIVES 1987-11-25 EP disclosed
JP-S62207269-A 7-(1-PYRROLIDINYL)-QUINOLONECARBOXYLIC ACID DERIVATIVE BAYER AG 1987-09-11 JP disclosed
EP-0235676-A2 7-(1-Pyrrolidinyl)quinolone-carboxylic-acid derivatives BAYER AG (DE) 1987-09-09 EP disclosed