SCHEMBL6964974

SCHEMBL6964974

COC(=O)c1cccc(COS(=O)(=S)c2ccc(C)cc2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.61
TCF4 P15884 1/20 0.54
CTNNB1 P35222 1/20 0.54
LOXL2 Q9Y4K0 1/20 0.50
CYP4F2 P78329 2/20 0.49
CYP4A11 Q02928 2/20 0.49
MRGPRX4 Q96LA9 2/20 0.47
CYP2C9 P11712 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ADAMTS4 O75173 1/20 0.45
MMP13 P45452 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
SLC7A5 Q01650 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL8434488 0.82 IDO1 (0.47) MAPTALDH1A1CA1CA2CA9
SCHEMBL8434521 0.80 L3MBTL1 (0.48) MMP13POLB
SCHEMBL6389243 0.79 LOXL2 (0.60) MAPTLOXL2CYP4F2CYP4A11MRGPRX4
SCHEMBL6964968 0.78 BCHE (0.59) MAPTTCF4CTNNB1LOXL2CYP4F2
SCHEMBL9432132 0.77 CA9 (0.50) MAPTCYP2C9ALDH1A1SMN1; SMN2CA12
SCHEMBL21171359 0.77 MAPT (0.76) MAPTLOXL2CYP4F2CYP4A11MRGPRX4
SCHEMBL29768576 0.75 CYP4F2 (0.58) MAPTTCF4CTNNB1LOXL2CYP4F2
SCHEMBL8872453 0.75 CA12 (0.59) MAPTTCF4CTNNB1CYP2C9CA12
SCHEMBL29084501 0.75 CYP4F2 (0.58) MAPTTCF4CTNNB1LOXL2CYP4F2
SCHEMBL6959194 0.75 CA2 (0.59) MAPTCYP2C9ALDH1A1CA12CA1

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
EP-0729465-B1 PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE DAVIS & CO (US) 2003-01-22 EP disclosed
US-6005103-A TREATMENT OF BACTERIAL AND VIRAL INFECTIONS AND DISEASES, INCLUDING AIDS WARNER-LAMBERT COMPANY (US) 1999-12-21 US disclosed