SCHEMBL8109577

SCHEMBL8109577

O=S(=O)(Cc1cccc2ccccc12)Cc1cccc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.55
CYP1A2 P05177 3/20 0.52
CYP2C19 P33261 2/20 0.52
CYP2C9 P11712 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
NQO2 P16083 1/20 0.51
ACP3 P15309 1/20 0.50
CYP2D6 P10635 2/20 0.48
ALDH1A1 P00352 2/20 0.46
MAPT P10636 2/20 0.46
MEN1 O00255 1/20 0.46
HPGD P15428 1/20 0.46
KMT2A Q03164 1/20 0.46
CA1 P00915 1/20 0.45
CA9 Q16790 1/20 0.45
GAA P10253 1/20 0.45
HSD17B10 Q99714 1/20 0.45
ATM Q13315 1/20 0.44
MTNR1A P48039 1/20 0.43
CTNNB1 P35222 1/20 0.43

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
SCHEMBL295141 0.85 CA2 (0.53) CA2CYP1A2CYP2C19CYP2C9TDP1
SCHEMBL40373 0.85 TDP1 (0.55) CA2CYP1A2CYP2C19CYP2C9TDP1
SCHEMBL3268393 0.84 TDP1 (0.59) CA2CYP1A2TDP1NQO2ACP3
SCHEMBL5507279 0.83 CA2 (0.51) CA2CYP1A2CYP2C19CYP2C9TDP1
SCHEMBL30532459 0.83 TDP1 (0.53) CA2CYP1A2CYP2C19CYP2C9TDP1
Naphthalene SCHEMBL9470169 0.83 TDP1 (0.53) CA2CYP1A2CYP2C19CYP2C9TDP1
SCHEMBL3245793 0.83 NQO2 (0.57) CA2CYP1A2CYP2C19CYP2C9TDP1
SCHEMBL5507285 0.83 CA2 (0.61) CA2CYP1A2CYP2C19CYP2C9TDP1
Ammonia Solution, Strong SCHEMBL10719436 0.83 TDP1 (0.53) CA2CYP1A2CYP2C19CYP2C9TDP1
SCHEMBL7390256 0.81 CA2 (0.43) CA2CYP1A2CYP2C19CYP2C9TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1149191-C Azetidine derivatives, Preparation and medicines containing them ���ĵ�˹ҩ��ɷ����޹�˾ 2004-05-12 CN disclosed
CN-1316991-A Azetidine derivatives, preparation and medicines containing them AVENTIS PHARMA SA (FR) 2001-10-10 CN disclosed
US-6054254-A COATING WITH PHOTORESISTS, EXPOSURE TO LIGHT, DEVELOPMENT KABUSHIKI KAISHA TOSHIBA (JP) 2000-04-25 US disclosed
EP-0515079-B1 Resist materials and processes of their use AT & T CORP (US) 1999-08-25 EP disclosed
US-5374504-A Resist materials and processes of their use AT&T CORP. (US) 1994-12-20 US disclosed
EP-0515079-A1 Resist materials and processes of their use AT&T Corp. (US) 1992-11-25 EP disclosed