SCHEMBL3715111

SCHEMBL3715111

Cc1nc(-c2cc(N)c3[nH]c(-c4ccccc4)cc3c2)sc1C(=O)O

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.72
SMN1; SMN2 Q16637 7/20 0.59
RAB9A P51151 5/20 0.51
KDM4E B2RXH2 4/20 0.51
GAA P10253 2/20 0.51
ALDH1A1 P00352 8/20 0.48
MAPT P10636 6/20 0.47
NPC1 O15118 3/20 0.46
HPGD P15428 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
POLB P06746 1/20 0.46
KMT2A Q03164 4/20 0.45
LMNA P02545 3/20 0.45
ATM Q13315 1/20 0.45
MEN1 O00255 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL3714458 0.88 XDH (0.57) XDHSMN1; SMN2RAB9AKDM4EGAA
SCHEMBL7893019 0.86 XDH (0.56) XDHSMN1; SMN2RAB9AKDM4EGAA
SCHEMBL3704893 0.84 XDH (1.00) XDHSMN1; SMN2RAB9AKDM4EGAA
SCHEMBL3713372 0.83 XDH (0.67) XDHSMN1; SMN2RAB9AKDM4EGAA
SCHEMBL7886674 0.81 XDH (0.50) XDHSMN1; SMN2RAB9AKDM4EGAA
SCHEMBL12599357 0.79 KDM4E (0.56) XDHSMN1; SMN2RAB9AKDM4EGAA
SCHEMBL1327631 0.76 SMN1; SMN2 (1.00) SMN1; SMN2RAB9AKDM4EGAAALDH1A1
SCHEMBL3715991 0.75 KDM4E (0.58) XDHSMN1; SMN2RAB9AKDM4EGAA
SCHEMBL7894346 0.74 LMNA (0.48) XDHSMN1; SMN2RAB9AKDM4EGAA
SCHEMBL3718947 0.74 XDH (0.56) XDHSMN1; SMN2RAB9AKDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010093191-A2 NOVEL COMPOUNDS EFFECTIVE AS XANTHINE OXIDASE INHIBITORS, METHOD FOR PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME LG LIFE SCIENCES LTD. (KR) 2010-08-19 WO claimed
WO-2010093191-A2 NOVEL COMPOUNDS EFFECTIVE AS XANTHINE OXIDASE INHIBITORS, METHOD FOR PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME LG LIFE SCIENCES LTD. (KR) 2010-08-19 WO disclosed
WO-2010093191-A2 NOVEL COMPOUNDS EFFECTIVE AS XANTHINE OXIDASE INHIBITORS, METHOD FOR PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME LG LIFE SCIENCES LTD. (KR) 2010-08-19 WO disclosed