SCHEMBL8304777

SCHEMBL8304777

CCOC(=O)Cc1cc2ccc(F)cc2n(Cc2nc3c(F)c(F)cc(F)c3s2)c1=O

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 11/20 0.45
AKR1A1 P14550 10/20 0.45
ALDH1A1 P00352 1/20 0.40
HK1 P19367 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HKDC1 Q2TB90 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
SCHEMBL8308531 0.94 AKR1A1 (0.48) AKR1B1AKR1A1
SCHEMBL8305325 0.91 AKR1A1 (0.47) AKR1B1AKR1A1
SCHEMBL8304398 0.85 AKR1A1 (0.47) AKR1B1AKR1A1
SCHEMBL8308622 0.83 AKR1A1 (0.55) AKR1B1AKR1A1
SCHEMBL8304794 0.82 AKR1B1 (0.47) AKR1B1AKR1A1ALDH1A1HK1SMN1; SMN2
SCHEMBL8307226 0.81 AKR1A1 (0.54) AKR1B1AKR1A1
SCHEMBL8308463 0.79 AKR1A1 (0.55) AKR1B1AKR1A1
SCHEMBL8307547 0.78 AKR1B1 (0.53) AKR1B1AKR1A1
SCHEMBL8305380 0.78 AKR1A1 (0.55) AKR1B1AKR1A1
SCHEMBL8303795 0.76 AKR1B1 (0.48) AKR1B1AKR1A1ALDH1A1HK1SMN1; SMN2

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