SCHEMBL8303689

SCHEMBL8303689

CCOC(=O)Cc1cc2ccccc2n(Cc2nc3c(Br)cccc3s2)c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.40
RXFP1 Q9HBX9 4/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TP53 P04637 2/20 0.39
HTT P42858 1/20 0.39
AKR1B1 P15121 5/20 0.39
NOD2 Q9HC29 1/20 0.38
NOD1 Q9Y239 1/20 0.38
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
ALDH1A1 P00352 4/20 0.37
POLB P06746 3/20 0.37
MAPT P10636 3/20 0.37
TDP1 Q9NUW8 3/20 0.37
L3MBTL1 Q9Y468 3/20 0.37
HPGD P15428 3/20 0.37
RECQL P46063 2/20 0.37
ALOX12 P18054 2/20 0.37
HSD17B10 Q99714 2/20 0.37
CYP1A2 P05177 1/20 0.37

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
SCHEMBL8303795 0.89 AKR1B1 (0.48) KDM4ERXFP1TP53HTTAKR1B1
SCHEMBL8303442 0.85 AKR1B1 (0.49) KDM4ERXFP1TP53HTTAKR1B1
SCHEMBL8304794 0.81 AKR1B1 (0.47) KDM4ERXFP1NPSR1TP53HTT
SCHEMBL8305325 0.80 AKR1A1 (0.47) AKR1B1
SCHEMBL8305341 0.76 AKR1B1 (0.60) AKR1B1
SCHEMBL8308022 0.74 AKR1B1 (0.42) KDM4ERXFP1TP53HTTAKR1B1
SCHEMBL8308531 0.72 AKR1A1 (0.48) AKR1B1
SCHEMBL8307232 0.71 AKR1B1 (0.60) AKR1B1
SCHEMBL8304777 0.71 AKR1B1 (0.45) AKR1B1ALDH1A1
SCHEMBL8304398 0.71 AKR1A1 (0.47) AKR1B1

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-0633261-B1 QUINOLINE-3-ACETIC ACID DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE THEREOF YOSHITOMI PHARMACEUTICAL (JP) 1999-04-21 EP disclosed
US-5543420-A ALDOSE REDUCTASE INHIBITORS; ANTIDIABETIC AGENTS; PREVENTION OF ACCUMULATION OF SORBITOL AND GALACTITOL IN MAMMALIAN TISSUE THE GREEN CROSS CORPORATION (JP) 1996-08-06 US disclosed
EP-0633261-A1 QUINOLINE-3-ACETIC ACID DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE THEREOF THE GREEN CROSS CORPORATION (JP) 1995-01-11 EP disclosed