SCHEMBL27685705

SCHEMBL27685705

Nc1cccc(-c2nccs2)c1S(N)(=O)=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.44
ADORA1 P30542 2/20 0.44
HDAC2 Q92769 2/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
PDPK1 O15530 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.38
HSP90AA1 P07900 1/20 0.37
CASP6 P55212 1/20 0.36
CYP2A6 P11509 1/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35

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
SCHEMBL6694712 0.84 CA2 (0.41) ADORA2AADORA1PDPK1LOXL2CASP6
SCHEMBL11159480 0.77 PDPK1 (0.46) ADORA2AADORA1HDAC2HDAC3HDAC4
SCHEMBL996777 0.77 PDPK1 (0.53) ADORA2AADORA1HDAC2HDAC3HDAC4
SCHEMBL29608350 0.76 ADORA2A (0.47) ADORA2AADORA1PDPK1LOXL2CYP2A6
SCHEMBL1093747 0.76 ADORA2A (0.47) ADORA2AADORA1PDPK1LOXL2CYP2A6
SCHEMBL27346293 0.76 CA1 (0.40) ADORA2ACA2CA9GAACYP2C9
Hydrochloric Acid SCHEMBL5692830 0.75 ADORA2A (0.46) ADORA2AADORA1PDPK1LOXL2CYP2A6
Hydrochloric Acid SCHEMBL5692845 0.75 ADORA2A (0.46) ADORA2AADORA1PDPK1LOXL2CYP2A6
SCHEMBL16180599 0.75 ADORA2A (0.40) ADORA2AADORA1PDPK1LOXL2CASP6
SCHEMBL5692855 0.75 EDNRB (0.44) ADORA2AADORA1PDPK1LOXL2CA2

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-1954005-B Catalyst composition comprising shuttling agent for ethylene multi-block copolymer formation DOW GLOBAL TECHNOLOGIES INC 2012-10-10 CN disclosed
CN-1976965-B Catalyst composition comprising shuttling agent for ethylene multi-block copolymer formation DOW GLOBAL TECHNOLOGIES INC 2012-10-10 CN disclosed
CN-101309943-B Catalytic olefin block copolymers with controlled block sequence distribution DOW GLOBAL TECHNOLOGIES INC 2012-09-26 CN disclosed
CN-101142247-B Pseudo-block copolymers and methods of using chain shuttling agents DOW GLOBAL TECHNOLOGIES INC 2011-11-23 CN disclosed
CN-101309943-A Catalytic olefin block copolymers with controlled block sequence distribution DOW GLOBAL TECHNOLOGIES INC (US) 2008-11-19 CN disclosed
CN-1976965-A Catalyst composition comprising shuttling agent for ethylene multi-block copolymer formation DOW GLOBAL TECHNOLOGIES INC (US) 2007-06-06 CN disclosed