SCHEMBL6576335

SCHEMBL6576335

Fc1cc(F)c2sc(Cc3c[nH]c4ccccc34)nc2c1F

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AKR1A1 P14550 13/20 0.53
AKR1B1 P15121 13/20 0.53
MAPT P10636 2/20 0.49
GPR84 Q9NQS5 2/20 0.47
MEN1 O00255 1/20 0.47
CYP3A4 P08684 1/20 0.47
AHR P35869 1/20 0.47
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL6575507 0.87 AKR1A1 (0.55) AKR1A1AKR1B1GPR84
SCHEMBL6576328 0.87 GPR84 (0.55) AKR1A1AKR1B1GPR84KMT2A
SCHEMBL6576292 0.85 AKR1A1 (0.56) AKR1A1AKR1B1GPR84
SCHEMBL6576362 0.85 AKR1A1 (0.56) AKR1A1AKR1B1
SCHEMBL6576372 0.85 AKR1A1 (0.56) AKR1A1AKR1B1GPR84
SCHEMBL6577907 0.85 AKR1A1 (0.56) AKR1A1AKR1B1
SCHEMBL6578380 0.77 AKR1A1 (0.55) AKR1A1AKR1B1
SCHEMBL6578352 0.75 AKR1A1 (0.54) AKR1A1AKR1B1
SCHEMBL8660288 0.72 AKR1A1 (0.62) AKR1A1AKR1B1
SCHEMBL6575586 0.72 GPR84 (0.58) AKR1A1AKR1B1MAPTGPR84MEN1

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