SCHEMBL8303795

SCHEMBL8303795

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 6/20 0.48
AKR1A1 P14550 1/20 0.42
ALDH1A1 P00352 5/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
RXFP1 Q9HBX9 3/20 0.41
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
HTT P42858 1/20 0.39
KDM4E B2RXH2 3/20 0.38
USP2 O75604 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
ALOX12 P18054 1/20 0.37
RECQL P46063 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL8303689 0.89 KDM4E (0.40) AKR1B1ALDH1A1MEN1KMT2ARXFP1
SCHEMBL8304794 0.88 AKR1B1 (0.47) AKR1B1AKR1A1ALDH1A1MEN1KMT2A
SCHEMBL8305325 0.85 AKR1A1 (0.47) AKR1B1AKR1A1
SCHEMBL8303442 0.85 AKR1B1 (0.49) AKR1B1ALDH1A1MEN1KMT2ARXFP1
SCHEMBL8308022 0.79 AKR1B1 (0.42) AKR1B1AKR1A1ALDH1A1MEN1KMT2A
SCHEMBL8307232 0.77 AKR1B1 (0.60) AKR1B1AKR1A1PTGDR2
SCHEMBL8304777 0.76 AKR1B1 (0.45) AKR1B1AKR1A1ALDH1A1SMN1; SMN2HK1
SCHEMBL8304398 0.76 AKR1A1 (0.47) AKR1B1AKR1A1
SCHEMBL8308531 0.76 AKR1A1 (0.48) AKR1B1AKR1A1
SCHEMBL8304753 0.72 AKR1B1 (0.51) AKR1B1AKR1A1PTGDR2

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