SCHEMBL7476035

SCHEMBL7476035

CCc1ccc(S(=O)(=O)c2cc[c]cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.53
POLB P06746 2/20 0.44
UCHL1 P09936 1/20 0.43
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
TP53 P04637 1/20 0.40
HTR6 P50406 1/20 0.39
PSIP1 O75475 1/20 0.38
KDM4E B2RXH2 1/20 0.38
F2 P00734 1/20 0.38
MAPT P10636 1/20 0.38
VDR P11473 1/20 0.38
NAMPT P43490 1/20 0.38
ATM Q13315 1/20 0.38
CYP2A6 P11509 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PKM P14618 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
SCHEMBL678812 0.87 CA2 (0.67) CA2POLBUCHL1GAAKMT2A
SCHEMBL27919766 0.80 CA1 (0.55) CA2ALDH1A1TP53HTR6PSIP1
SCHEMBL818508 0.80 HTR6 (0.50) POLBGAAKMT2AALDH1A1HPGD
SCHEMBL4615611 0.79 HTR6 (0.61) CA2POLBUCHL1L3MBTL1ALDH1A1
SCHEMBL178280 0.79 GAA (0.70) CA2POLBUCHL1GAAKMT2A
SCHEMBL4617827 0.78 CA2 (0.55) CA2POLBUCHL1GAAL3MBTL1
SCHEMBL1615615 0.78 CA2 (0.55) CA2POLBUCHL1GAAKMT2A
SCHEMBL8624648 0.78 ALDH1A1 (0.67) CA2POLBUCHL1GAAKMT2A
SCHEMBL310696 0.77 GAA (0.73) CA2GAAKMT2AL3MBTL1ALDH1A1
SCHEMBL7156060 0.77 UCHL1 (0.71) POLBUCHL1KMT2AL3MBTL1ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1194417-A1 PHENOXY FLUOROPYRIMIDINES BAYER AG (DE) 2002-04-10 EP claimed
WO-2000078733-A1 PHENOXY FLUOROPYRIMIDINES BAYER AKTIENGESELLSCHAFT (DE) 2000-12-28 WO claimed
EP-1194417-A1 PHENOXY FLUOROPYRIMIDINES BAYER AG (DE) 2002-04-10 EP disclosed
WO-2000078733-A1 PHENOXY FLUOROPYRIMIDINES BAYER AKTIENGESELLSCHAFT (DE) 2000-12-28 WO disclosed