SCHEMBL8304794

SCHEMBL8304794

CCOC(=O)Cc1cc2ccccc2n(Cc2nc3c(F)ccc(F)c3s2)c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 3/20 0.47
ALDH1A1 P00352 6/20 0.38
RXFP1 Q9HBX9 3/20 0.38
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
AKR1A1 P14550 1/20 0.37
HTT P42858 2/20 0.37
HPGD P15428 2/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
NOD2 Q9HC29 1/20 0.36
NOD1 Q9Y239 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
RECQL P46063 1/20 0.35
NPC1 O15118 1/20 0.35
PKM P14618 1/20 0.35

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
SCHEMBL8305325 0.91 AKR1A1 (0.47) AKR1B1AKR1A1
SCHEMBL8303795 0.88 AKR1B1 (0.48) AKR1B1ALDH1A1RXFP1KDM4EMEN1
SCHEMBL8304777 0.82 AKR1B1 (0.45) AKR1B1ALDH1A1AKR1A1SMN1; SMN2HK1
SCHEMBL8308531 0.81 AKR1A1 (0.48) AKR1B1AKR1A1
SCHEMBL8303689 0.81 KDM4E (0.40) AKR1B1ALDH1A1RXFP1KDM4EMEN1
SCHEMBL8303442 0.80 AKR1B1 (0.49) AKR1B1ALDH1A1RXFP1KDM4EMEN1
SCHEMBL8304398 0.80 AKR1A1 (0.47) AKR1B1AKR1A1
SCHEMBL8307547 0.77 AKR1B1 (0.53) AKR1B1AKR1A1
SCHEMBL8304753 0.74 AKR1B1 (0.51) AKR1B1AKR1A1
SCHEMBL8308022 0.74 AKR1B1 (0.42) AKR1B1ALDH1A1RXFP1KDM4EMEN1

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