SCHEMBL3707995

SCHEMBL3707995

Cc1nc(-c2cc(Cl)c3[nH]c(CC(C)C)cc3c2)sc1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
KDM4E B2RXH2 2/20 0.47
NPC1 O15118 1/20 0.47
POLB P06746 1/20 0.47
XDH P47989 8/20 0.46
GAA P10253 2/20 0.46
TARBP2 Q15633 2/20 0.46
NR1H4 Q96RI1 1/20 0.43
ABCC4 O15439 1/20 0.42
ABCB11 O95342 1/20 0.42
PGR P06401 1/20 0.42
CHRM1 P11229 1/20 0.42
PDE4A P27815 1/20 0.42
BLVRB P30043 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.42
ALDH1A1 P00352 3/20 0.39
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL3710384 0.88 CDC7 (0.48) KDM4EALDH1A1MAPT
SCHEMBL3708956 0.87 XDH (0.46) RAB9ASMN1; SMN2KDM4ENPC1POLB
SCHEMBL3706864 0.85 RAB9A (0.47) RAB9ASMN1; SMN2KDM4ENPC1POLB
SCHEMBL3706874 0.85 XDH (0.66) RAB9ASMN1; SMN2KDM4ENPC1POLB
SCHEMBL3704332 0.82 RAB9A (0.44) RAB9ASMN1; SMN2KDM4ENPC1POLB
SCHEMBL3708411 0.78 SMN1; SMN2 (0.46) RAB9ASMN1; SMN2KDM4ENPC1POLB
SCHEMBL3712683 0.76 CDC7 (0.48) SMN1; SMN2KDM4EALDH1A1HPGDMEN1
SCHEMBL8869083 0.74 TARBP2 (0.65) RAB9ASMN1; SMN2KDM4ENPC1POLB
SCHEMBL3712291 0.74 XDH (0.41) RAB9ASMN1; SMN2KDM4ENPC1POLB
SCHEMBL3710296 0.74 FBP1 (0.40) KDM4ETSHR

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