SCHEMBL11048261

SCHEMBL11048261

O=C(O)C=Cc1[nH]c2ccccc2c1Cc1cccnc1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 5/20 0.54
FNTA P49354 7/20 0.50
FNTB P49356 7/20 0.50
VKORC1 Q9BQB6 1/20 0.42
PKM P14618 1/20 0.41
MAPK10 P53779 1/20 0.41
PADI4 Q9UM07 1/20 0.41
IDO1 P14902 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
SCHEMBL10806681 0.79 FNTA (0.44) FNTAFNTBMAPK10PADI4IDO1
SCHEMBL11205807 0.77 TAAR1 (0.43) PADI4
SCHEMBL11048258 0.75 FNTA (0.51) FNTAFNTBVKORC1PKMMAPK10
SCHEMBL11049464 0.74 TBXAS1 (0.56) TBXAS1
SCHEMBL8539967 0.73 TBXAS1 (0.50) TBXAS1
SCHEMBL8539971 0.73 TBXAS1 (0.50) TBXAS1
SCHEMBL10806849 0.73 ATM (0.54)
SCHEMBL7373958 0.71 ALDH1A1 (0.54)
SCHEMBL10658479 0.71 TBXAS1 (1.00) TBXAS1
SCHEMBL10658490 0.71 TBXAS1 (1.00) TBXAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4451472-A ANTITHROMBOSIS AND ANTIISCHEMIC AGENTS, AND TREATMENT OF VASCULAR COMPLICATIONS OF DIAMETES PFIZER INC. (US) 1984-05-29 US disclosed
US-4451472-A ANTITHROMBOSIS AND ANTIISCHEMIC AGENTS, AND TREATMENT OF VASCULAR COMPLICATIONS OF DIAMETES PFIZER INC. (US) 1984-05-29 US disclosed