SCHEMBL7893019

SCHEMBL7893019

Cc1cccc(-c2cc3cc(-c4nc(C)c(C(=O)O)s4)cc(N)c3[nH]2)n1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
XDH P47989 4/20 0.56
SMN1; SMN2 Q16637 6/20 0.47
RAB9A P51151 5/20 0.46
KDM4E B2RXH2 4/20 0.46
GAA P10253 2/20 0.46
ALDH1A1 P00352 6/20 0.44
KMT2A Q03164 5/20 0.43
NPC1 O15118 2/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 3/20 0.38
HPGD P15428 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TARBP2 Q15633 1/20 0.37
LMNA P02545 2/20 0.36
ATM Q13315 1/20 0.36
MEN1 O00255 2/20 0.36

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
SCHEMBL3718947 0.88 XDH (0.56) XDHSMN1; SMN2RAB9AKDM4EGAA
SCHEMBL7894346 0.88 LMNA (0.48) XDHSMN1; SMN2RAB9AKDM4EGAA
SCHEMBL3715111 0.86 XDH (0.72) XDHSMN1; SMN2RAB9AKDM4EGAA
SCHEMBL3704150 0.85 XDH (0.77) XDHSMN1; SMN2RAB9AKDM4EGAA
SCHEMBL7886674 0.81 XDH (0.50) XDHSMN1; SMN2RAB9AKDM4EGAA
SCHEMBL3714429 0.76 LMNA (0.48) XDHRAB9AKDM4EGAAALDH1A1
SCHEMBL3715991 0.75 KDM4E (0.58) XDHSMN1; SMN2RAB9AKDM4EGAA
SCHEMBL3714458 0.75 XDH (0.57) XDHSMN1; SMN2RAB9AKDM4EGAA
SCHEMBL12599357 0.75 KDM4E (0.56) XDHSMN1; SMN2RAB9AKDM4EGAA
SCHEMBL3705153 0.74 XDH (0.61) XDHKDM4EALDH1A1KMT2AMAPT

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-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