SCHEMBL3706147

SCHEMBL3706147

Cc1nc(-c2ccc3c(c2)c(Cl)cn3C2CCCCC2)sc1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
KDM4E B2RXH2 2/20 0.49
NPC1 O15118 1/20 0.49
POLB P06746 1/20 0.49
XDH P47989 6/20 0.47
GAA P10253 1/20 0.46
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.39
NR1H4 Q96RI1 1/20 0.39
PPARA Q07869 3/20 0.39
TARBP2 Q15633 1/20 0.39
PPARG P37231 1/20 0.38
PPARD Q03181 1/20 0.38

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
SCHEMBL3714301 0.99 RAB9A (0.50) RAB9ASMN1; SMN2KDM4ENPC1POLB
SCHEMBL3712258 0.88 CDC7 (0.47) KDM4EALDH1A1
SCHEMBL3707373 0.87 RAB9A (0.46) RAB9ASMN1; SMN2KDM4ENPC1POLB
SCHEMBL3705829 0.87 CDC7 (0.47) KDM4EALDH1A1
SCHEMBL3709646 0.85 XDH (0.63) XDHTARBP2
SCHEMBL3707418 0.83 XDH (0.63) XDHTARBP2
SCHEMBL7884452 0.81 XDH (0.45) RAB9ASMN1; SMN2KDM4ENPC1POLB
SCHEMBL3712304 0.80 XDH (0.65) RAB9AKDM4EXDHGAATARBP2
SCHEMBL3718086 0.80 RAB9A (0.53) RAB9ASMN1; SMN2KDM4ENPC1POLB
SCHEMBL7894359 0.79 RAB9A (0.54) RAB9ASMN1; SMN2KDM4ENPC1POLB

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