SCHEMBL3707571

SCHEMBL3707571

CCn1cc([N+](=O)[O-])c2cc(-c3nc(C)c(C(=O)O)s3)ccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.55
XDH P47989 6/20 0.50
KDM4E B2RXH2 2/20 0.46
GAA P10253 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
NPC1 O15118 1/20 0.45
POLB P06746 1/20 0.45
ALDH1A1 P00352 1/20 0.44
THRA P10827 2/20 0.44
THRB P10828 2/20 0.44
ENPP2 Q13822 4/20 0.43
TARBP2 Q15633 2/20 0.41
ABCC4 O15439 1/20 0.40
ABCB11 O95342 1/20 0.40
PGR P06401 1/20 0.40
CHRM1 P11229 1/20 0.40
PDE4A P27815 1/20 0.40
BLVRB P30043 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.40

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
SCHEMBL3708174 0.89 CDC7 (0.49) RAB9AXDHKDM4EGAAPOLB
SCHEMBL3703608 0.89 RAB9A (0.52) RAB9AXDHKDM4EGAASMN1; SMN2
SCHEMBL3710271 0.88 RAB9A (0.50) RAB9AXDHKDM4EGAASMN1; SMN2
SCHEMBL3715308 0.88 XDH (0.64) RAB9AXDHKDM4EGAASMN1; SMN2
SCHEMBL3712098 0.87 RAB9A (0.58) RAB9AXDHKDM4EGAASMN1; SMN2
SCHEMBL3712007 0.85 XDH (0.61) RAB9AXDHKDM4EGAASMN1; SMN2
SCHEMBL3710951 0.84 XDH (0.56) RAB9AXDHKDM4EGAASMN1; SMN2
SCHEMBL7894359 0.83 RAB9A (0.54) RAB9AXDHKDM4EGAASMN1; SMN2
SCHEMBL3718086 0.82 RAB9A (0.53) RAB9AXDHKDM4EGAASMN1; SMN2
SCHEMBL7885568 0.82 XDH (0.43) RAB9AXDHTHRATHRB

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