SCHEMBL6577907

SCHEMBL6577907

Cc1ccc2c(Cc3nc4c(F)c(F)cc(F)c4s3)c[nH]c2c1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AKR1A1 P14550 13/20 0.56
AKR1B1 P15121 13/20 0.56
HTR2A P28223 1/20 0.45
PCSK9 Q8NBP7 1/20 0.44

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
SCHEMBL6576362 0.91 AKR1A1 (0.56) AKR1A1AKR1B1HTR2APCSK9
SCHEMBL6575507 0.89 AKR1A1 (0.55) AKR1A1AKR1B1HTR2A
SCHEMBL6576372 0.87 AKR1A1 (0.56) AKR1A1AKR1B1
SCHEMBL6576335 0.85 AKR1A1 (0.53) AKR1A1AKR1B1
SCHEMBL6576328 0.82 GPR84 (0.55) AKR1A1AKR1B1HTR2A
SCHEMBL6577852 0.73 AKR1A1 (0.62) AKR1A1AKR1B1
SCHEMBL443358 0.72 AKR1A1 (1.00) AKR1A1AKR1B1
SCHEMBL29005983 0.72 HTR2A (0.69) HTR2APCSK9
SCHEMBL6578380 0.70 AKR1A1 (0.55) AKR1A1AKR1B1
SCHEMBL420815 0.70 AKR1A1 (1.00) AKR1A1AKR1B1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1135124-B1 ANTIHYPERTRIGLYCERIDEMIC, ANTIHYPERGLYCEMIC, ANTI-ANGIOGENIC AND WOUND HEALING SUBSTITUDED INDOLEALKANOIC ACIDS INST FOR PHARM DISCOVERY INC (US) 2004-04-28 EP disclosed