SCHEMBL3707628

SCHEMBL3707628

Cc1nc(-c2cc(Cl)c3[nH]c(C4CCCN4C(=O)OC(C)(C)C)cc3c2)sc1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.37
TSHR P16473 3/20 0.36
PTGES O14684 2/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
MEN1 O00255 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 2/20 0.36
HCRTR1 O43613 2/20 0.34
HCRTR2 O43614 2/20 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
SCHEMBL3714706 0.90 CDC7 (0.39) L3MBTL1RAB9ANPC1TSHRLMNA
Hydrochloric Acid SCHEMBL3702888 0.75 RAB9A (0.43) XDHKDM4ERAB9ASMN1; SMN2NPC1
SCHEMBL3708693 0.74 CDC7 (0.41) KDM4ERAB9ASMN1; SMN2NPC1POLB
SCHEMBL3707254 0.74 CDC7 (0.41) KDM4ESMN1; SMN2POLBLMNAMAPT
SCHEMBL3704332 0.72 RAB9A (0.44) XDHKDM4ERAB9ASMN1; SMN2NPC1
SCHEMBL12263795 0.72 L3MBTL1 (0.42) L3MBTL1POLBTSHRPTGESLMNA
SCHEMBL12263787 0.72 TSHR (0.41) L3MBTL1POLBTSHRPTGESLMNA
SCHEMBL12263793 0.70 USP30 (0.44) L3MBTL1TSHRLMNAMAPTNPSR1
SCHEMBL17865678 0.70 HRH4 (0.46) L3MBTL1KDM4ERAB9ANPC1POLB
SCHEMBL3706864 0.70 RAB9A (0.47) XDHKDM4ERAB9ASMN1; SMN2NPC1

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