SCHEMBL3710567

SCHEMBL3710567

CC(C)Cc1cc2cc(C(N)=S)cc([N+](=O)[O-])c2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 6/20 0.48
ALOX15 P16050 1/20 0.33
ALOX12 P18054 1/20 0.33
XDH P47989 2/20 0.32
HRH4 Q9H3N8 1/20 0.31
MAPT P10636 3/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HCAR3 P49019 1/20 0.30
APEX1 P27695 1/20 0.30
PARP1 P09874 1/20 0.30
MAPK1 P28482 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL3707303 0.78 HTT (0.36) HTTSMN1; SMN2PARP1
SCHEMBL3704905 0.72 CYP19A1 (0.44) FBP1XDHAPEX1
SCHEMBL3710221 0.68 FBP1 (0.47) FBP1XDH
SCHEMBL3031133 0.66 GRIN2D (0.46) FBP1XDHHRH4MAPTLMNA
SCHEMBL28471005 0.65 FBP1 (1.00) FBP1XDHHRH4MAPTAPEX1
SCHEMBL27787935 0.65 FBP1 (0.42) FBP1ALOX15ALOX12XDHHRH4
SCHEMBL3710296 0.63 FBP1 (0.40) FBP1HRH4TDP1
SCHEMBL17865690 0.62 HRH4 (0.49) FBP1XDHHRH4MAPTLMNA
SCHEMBL30849043 0.62 FBP1 (0.46) FBP1XDHHRH4MAPTAPEX1
SCHEMBL27237581 0.62 FBP1 (0.46) FBP1XDHHRH4MAPTAPEX1

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 2 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 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