SCHEMBL7436018

SCHEMBL7436018

COC(=O)c1ccc2[nH]c(=O)n(C(=O)OC(C)(C)C)c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
B3GNT2 Q9NY97 4/20 0.47
KIF11 P52732 2/20 0.45
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
CREBBP Q92793 1/20 0.44
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
HSD17B10 Q99714 3/20 0.43
HPGD P15428 2/20 0.43
PARP1 P09874 2/20 0.42
KMT2A Q03164 2/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
PKM P14618 1/20 0.42
HTT P42858 1/20 0.42
GABRA1 P14867 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRA2 P47869 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
SCHEMBL7214732 0.90 PARP1 (0.45) B3GNT2KIF11RAB9ANPC1CREBBP
SCHEMBL31709866 0.81 AKT2 (0.44) B3GNT2
SCHEMBL319785 0.81 DAO (0.52) B3GNT2GABRA1GABRG2GABRB3GABRA3
SCHEMBL29848246 0.80 ALDH1A1 (0.42) B3GNT2RAB9ANPC1CREBBPKDM4E
SCHEMBL4948766 0.79 KCNQ3 (0.40) B3GNT2KIF11KDM4EKMT2AGAA
SCHEMBL7230617 0.79 HSP90AA1 (0.43) B3GNT2KIF11KDM4EALDH1A1KMT2A
SCHEMBL29847378 0.78 HSD11B1 (0.50) KDM4EALDH1A1
SCHEMBL7214021 0.78 PARP1 (0.44) B3GNT2KIF11RAB9ANPC1CREBBP
SCHEMBL14934065 0.78 MAOB (0.38) B3GNT2KDM4EALDH1A1GABRA1GABRG2
SCHEMBL1759187 0.77 CREBBP (0.51) B3GNT2KIF11RAB9ANPC1CREBBP

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
WO-2001012600-A9 INHIBITORS OF FACTOR Xa COR THERAPEUTICS INC (US) 2002-09-12 WO disclosed
WO-2001012600-A1 INHIBITORS OF FACTOR Xa COR THERAPEUTICS, INC. (US) 2001-02-22 WO disclosed