SCHEMBL3712062

SCHEMBL3712062

Cc1nc(-c2cc(Br)c3[nH]c(-c4cnccn4)cc3c2)sc1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.50
KDM4E B2RXH2 4/20 0.43
RAB9A P51151 3/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
POLB P06746 2/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.37
CDC7 O00311 1/20 0.37
DBF4 Q9UBU7 1/20 0.37
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
LMNA P02545 1/20 0.36
CYP2C19 P33261 1/20 0.36
TARBP2 Q15633 1/20 0.36
DHODH Q02127 1/20 0.35
NPY5R Q15761 1/20 0.34
MAPT P10636 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
SCHEMBL7886674 0.88 XDH (0.50) XDHKDM4ERAB9AGAAKMT2A
SCHEMBL3703604 0.88 CDC7 (0.52) XDHKDM4ESMN1; SMN2ALDH1A1CDC7
SCHEMBL3715991 0.86 KDM4E (0.58) XDHKDM4ERAB9AGAAKMT2A
SCHEMBL3705312 0.86 XDH (0.70) XDHKDM4ERAB9AGAAKMT2A
SCHEMBL3718947 0.81 XDH (0.56) XDHKDM4ERAB9AGAAKMT2A
SCHEMBL7890220 0.77 CDC7 (0.52) XDHKDM4ERAB9AKMT2APOLB
SCHEMBL658672 0.76 KDM4E (0.65) KDM4ERAB9AGAAKMT2ASMN1; SMN2
SCHEMBL3704472 0.75 XDH (0.55) XDHKDM4EALDH1A1CDC7DBF4
Hydrochloric Acid SCHEMBL19119532 0.74 KDM4E (0.63) KDM4ERAB9AGAAKMT2ASMN1; SMN2
SCHEMBL3708956 0.73 XDH (0.46) XDHKDM4ERAB9AGAASMN1; SMN2

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