SCHEMBL9725707

SCHEMBL9725707

CCCC(=O)c1c[nH]c2ccc(OC)cc2c1=O

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.64
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
MAPT P10636 2/20 0.64
MITF O75030 1/20 0.64
RAB9A P51151 1/20 0.64
NPSR1 Q6W5P4 1/20 0.64
KDM4E B2RXH2 3/20 0.63
HSD17B10 Q99714 2/20 0.63
GABRA1 P14867 8/20 0.61
GABRB2 P47870 8/20 0.61
ALDH1A1 P00352 2/20 0.60
CYP1A2 P05177 1/20 0.60
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60
HTT P42858 1/20 0.60
HPGD P15428 1/20 0.60
NR4A2 P43354 1/20 0.59
CPT1A P50416 1/20 0.54

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
SCHEMBL2053494 0.83 HTT (0.70) LMNAMEN1KMT2AMAPTMITF
SCHEMBL3847939 0.83 GABRA1 (0.73) LMNAMEN1KMT2AMAPTMITF
SCHEMBL3477919 0.82 KDM4E (0.64) LMNAMEN1KMT2AMAPTMITF
SCHEMBL29950498 0.82 LMNA (0.64) LMNAMEN1KMT2AMAPTMITF
Hydrochloric Acid SCHEMBL7514852 0.82 HTT (0.68) LMNAMEN1KMT2AMAPTMITF
SCHEMBL8558972 0.80 LMNA (0.82) LMNAMEN1KMT2AMAPTMITF
SCHEMBL10566584 0.80 MEN1 (0.73) LMNAMEN1KMT2AMAPTMITF
SCHEMBL28872023 0.80 KDM4E (0.61) LMNAMEN1KMT2AMAPTMITF
SCHEMBL11101264 0.79 KDM4E (0.60) LMNAMEN1KMT2AMAPTMITF
SCHEMBL8556745 0.78 LMNA (0.78) LMNAMEN1KMT2AMAPTMITF

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
US-5143920-A Antiulcer, antisecretory SMITHKLINE BECKMAN INTERCREDIT B.V. (NL) 1992-09-01 US disclosed
EP-0342775-A1 4-Amino-3-acylquinoline derivatives and their use as inhibitors of gastric secretion SMITHKLINE BEECHAM INTERCREDIT B.V. (NL) 1989-11-23 EP disclosed
WO-1989008105-A1 4-AMINO-3-ACYLQUINOLINE DERIVATIVES AND THEIR USE AS INHIBITORS OF GASTRIC SECRETION SMITHKLINE BECKMAN INTERCREDIT B.V. (NL) 1989-09-08 WO disclosed