SCHEMBL31113828

SCHEMBL31113828

O=S(=O)(NCc1ccccc1)c1cccc(-c2ccc3nccc(C4=CCCCC4)c3n2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.52
▸ BRD4 O60885 2/20 0.39
▸ PKM P14618 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ PIK3C3 Q8NEB9 1/20 0.37
▸ KEAP1 Q14145 1/20 0.37
▸ PIK3CD O00329 1/20 0.36
▸ PIK3CG P48736 1/20 0.36
▸ MAP4K4 O95819 3/20 0.36
▸ LMNA P02545 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ ROCK2 O75116 1/20 0.36
▸ GRK2 P25098 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ SYK P43405 1/20 0.36
▸ TP53 P04637 1/20 0.35
▸ MAPT P10636 1/20 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
SCHEMBL31114121 0.85 KCNH2 (0.46) KCNH2BRD4PKMRAB9APIK3C3
SCHEMBL31113619 0.83 IKBKB (0.42) MAP4K4SYK
SCHEMBL31113637 0.80 KCNH2 (0.48) KCNH2BRD4PKMRAB9APIK3C3
SCHEMBL31113732 0.80 KCNH2 (0.53) KCNH2BRD4RAB9APIK3C3KEAP1
SCHEMBL31113853 0.80 IKBKB (0.43) MAP4K4SYK
SCHEMBL31113723 0.79 KCNH2 (0.47) KCNH2BRD4PKMRAB9AMAP4K4
Hydrochloric Acid SCHEMBL31114024 0.78 HTR6 (0.47) KCNH2BRD4PKMRAB9APIK3C3
Hydrochloric Acid SCHEMBL31114027 0.78 KCNH2 (0.46) KCNH2BRD4PKMRAB9APIK3C3
SCHEMBL31113946 0.78 KCNH2 (0.47) KCNH2PKMMAP4K4HTTSYK
SCHEMBL31114158 0.77 KCNH2 (0.47) KCNH2PKMMAP4K4LMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024186839-A1 BICYCLIC ARYL SULFONAMIDES, SULFONES, AND SULFONATE ESTERS AS ANTI-PARASITIC AGENTS UNIVERSITY OF VERMONT AND STATE AGRICULTURAL COLLEGE (US) 2024-09-12 — — WO disclosed
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