SCHEMBL3265232

SCHEMBL3265232

NC(=O)c1cc2[nH]c(=O)[nH]c(=O)c2cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.42
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PARP1 P09874 4/20 0.37
CA12 O43570 2/20 0.37
CA9 Q16790 2/20 0.37
SIRT6 Q8N6T7 2/20 0.36
XDH P47989 1/20 0.35
TYMP P19971 1/20 0.34
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34

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
SCHEMBL29703091 0.83 SIRT6 (0.40) LCKPARP1SIRT6GABRPGABRD
SCHEMBL29991634 0.76 LCK (0.41) LCKPARP1SIRT6GABRPGABRD
SCHEMBL22220643 0.73 KDM4E (0.43) KDM4EALDH1A1HPGDSMN1; SMN2PARP1
SCHEMBL3260502 0.70 PARP1 (0.60) KDM4EALDH1A1HPGDSMN1; SMN2PARP1
SCHEMBL29935457 0.70 PARP1 (0.60) KDM4EALDH1A1HPGDSMN1; SMN2PARP1
SCHEMBL30358018 0.68 NNMT (0.39) LCKKDM4EALDH1A1SMN1; SMN2PARP1
SCHEMBL4950563 0.65 PARP1 (0.48) KDM4EALDH1A1HPGDSMN1; SMN2PARP1
SCHEMBL6360085 0.65 IP6K1 (0.52) ALDH1A1SMN1; SMN2PARP1CA12CA9
SCHEMBL6360080 0.65 LCK (0.39) LCKKDM4EALDH1A1HPGDPARP1
SCHEMBL28292086 0.65 LCK (0.49) LCKHPGDPARP1CA12CA9

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
WO-2010059552-A1 PROLYL HYDROXYLASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2010-05-27 WO disclosed