SCHEMBL28040486

SCHEMBL28040486

CCCc1ccncc1CS(=O)(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2E1 P05181 4/20 0.41
▸ CYP2C8 P10632 4/20 0.41
▸ CYP2D6 P10635 4/20 0.41
▸ CYP2A6 P11509 4/20 0.41
▸ CYP2B6 P20813 4/20 0.41
▸ CYP2C19 P33261 4/20 0.41
▸ CYP2C9 P11712 3/20 0.41
▸ CYP1A2 P05177 2/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ KDM4C Q9H3R0 2/20 0.37
▸ CA12 O43570 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ CA14 Q9ULX7 1/20 0.36
▸ PTGDR2 Q9Y5Y4 1/20 0.35
▸ AOC1 P19801 1/20 0.35
▸ AOC3 Q16853 1/20 0.35
▸ LMNA P02545 2/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34

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
SCHEMBL28040444 0.93 CYP2E1 (0.41) CYP2E1CYP2C8CYP2D6CYP2A6CYP2B6
SCHEMBL28040707 0.85 CYP2E1 (0.40) CYP2E1CYP2C8CYP2D6CYP2A6CYP2B6
SCHEMBL28040441 0.85 CYP2E1 (0.40) CYP2E1CYP2C8CYP2D6CYP2A6CYP2B6
SCHEMBL28040482 0.81 CYP2E1 (0.42) CYP2E1CYP2C8CYP2D6CYP2A6CYP2B6
SCHEMBL8271491 0.80 CYP2E1 (0.49) CYP2E1CYP2C8CYP2D6CYP2A6CYP2B6
SCHEMBL10954433 0.80 CYP2E1 (0.51) CYP2E1CYP2C8CYP2D6CYP2A6CYP2B6
SCHEMBL28040499 0.78 CYP2E1 (0.39) CYP2E1CYP2C8CYP2D6CYP2A6CYP2B6
SCHEMBL5110078 0.77 CYP2E1 (0.46) CYP2E1CYP2C8CYP2D6CYP2A6CYP2B6
SCHEMBL7786020 0.77 GABRA1 (0.40) —
SCHEMBL7468680 0.76 CYP2E1 (0.49) CYP2E1CYP2C8CYP2D6CYP2A6CYP2B6

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
CN-105088311-B A kind of aluminium alloy is without nickel environmental protection hole sealing agent 深圳前海艾丽优科技有限公司 2018-07-24 — — CN disclosed
CN-105088311-A Aluminum alloy nickel-free environment-friendly hole sealing agent SHENZHEN QIANHAI AILIYOU TECHNOLOGY CO LTD 2015-11-25 — — CN disclosed
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