SCHEMBL3468686

SCHEMBL3468686

Cc1[c]cc(-c2csc(C)c2)cc1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.33
HPGD P15428 4/20 0.31
ALDH1A1 P00352 3/20 0.31
ALOX12 P18054 1/20 0.31
HTT P42858 2/20 0.31
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31
DAO P14920 1/20 0.31

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
SCHEMBL4244577 0.76 DAO (0.44) CNR1HPGDALDH1A1ALOX12HTT
SCHEMBL14198883 0.73 ALDH1A1 (0.41) CNR1HPGDALDH1A1ALOX12HTT
SCHEMBL9454295 0.72 CYP2A6 (0.45)
SCHEMBL3711956 0.71 HPGD (0.34) CNR1HPGDALDH1A1ALOX12HTT
SCHEMBL513970 0.70 ACHE (0.40) HPGDALDH1A1KDM4E
SCHEMBL4244869 0.69 CYP2A6 (0.48) KDM4E
SCHEMBL18869535 0.69 ALAD (0.52) CNR1HPGDALDH1A1ALOX12KDM4E
SCHEMBL13802803 0.69 ALAD (0.52) CNR1ALDH1A1HTTKMT2A
SCHEMBL883778 0.69 ALDH1A1 (0.44) CNR1HPGDALDH1A1ALOX12HTT
SCHEMBL457428 0.69 ALDH1A1 (0.43) ALDH1A1

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-2010085968-A1 TOLUIDINE SULFONAMIDES AND THEIR USE AS HIF-INHIBITORS EUROPEAN MOLECULAR BIOLOGY LABORATORY (EMBL) (DE) 2010-08-05 WO disclosed
WO-2010076034-A1 TOLUIDINE SULFONAMIDES AND THEIR USE AS-INHIBITORS EUROPEAN MOLECULAR BIOLOGY LABORATORY (EMBL) (DE) 2010-07-08 WO disclosed