SCHEMBL6575533

SCHEMBL6575533

FC(F)(F)c1ccc2sc(Cc3c[nH]c4ccccc34)nc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 8/20 0.55
AKR1A1 P14550 5/20 0.55
MAPT P10636 3/20 0.47
AKR1B10 O60218 1/20 0.45
GLO1 Q04760 1/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
GPR84 Q9NQS5 2/20 0.44
AHR P35869 2/20 0.44
CYP3A4 P08684 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CCKBR P32239 1/20 0.43
LMNA P02545 2/20 0.42
CDK2 P24941 1/20 0.42
TRPV1 Q8NER1 1/20 0.42
PKM P14618 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL6578359 0.86 AKR1B1 (0.57) AKR1B1AKR1A1AKR1B10GLO1
SCHEMBL6575586 0.85 GPR84 (0.58) AKR1B1AKR1A1MAPTMEN1KMT2A
SCHEMBL6577863 0.78 GPR84 (0.58) AKR1B1AKR1A1MAPTMEN1KMT2A
Acetic Acid SCHEMBL1598780 0.74 KMT2A (0.49) MAPTMEN1KMT2AGPR84AHR
SCHEMBL31744797 0.72 MEN1 (0.68) MAPTMEN1KMT2AGPR84AHR
SCHEMBL21399605 0.72 MEN1 (0.68) MAPTMEN1KMT2AGPR84AHR
SCHEMBL443331 0.71 AKR1B1 (1.00) AKR1B1AKR1A1AKR1B10GLO1
SCHEMBL1098997 0.71 KMT2A (0.50) AKR1B1AKR1A1MAPTMEN1KMT2A
SCHEMBL31744779 0.71 GPR84 (0.57) AKR1B1MAPTMEN1KMT2AGPR84
SCHEMBL3265720 0.70 LOXL2 (0.59) AKR1B1AKR1A1AKR1B10GLO1TRPV1

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