SCHEMBL29836137

SCHEMBL29836137

CCNCCNc1cc(F)ccc1CC(N)=O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ICMT O60725 6/20 0.39
▸ MPO P05164 4/20 0.36
▸ MAPT P10636 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ PKM P14618 2/20 0.34
▸ KDR P35968 1/20 0.34
▸ PRKAA2 P54646 1/20 0.34
▸ PRKAA1 Q13131 1/20 0.34
▸ TLK2 Q86UE8 1/20 0.34
▸ MAPK8 P45983 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ FLT3 P36888 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ NOTUM Q6P988 1/20 0.32
▸ JAK2 O60674 1/20 0.32
▸ JAK3 P52333 1/20 0.32

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
SCHEMBL29836246 0.81 MKNK2 (0.42) MPOMAPTSMN1; SMN2FLT3JAK2
SCHEMBL13999721 0.72 ALDH1A1 (0.49) MAPTPKMALDH1A1
SCHEMBL14495394 0.70 P2RX7 (0.47) ICMTMPOSLC6A4
SCHEMBL28037697 0.69 CA3 (0.45) ICMTMPOMAPTMAPK8SLC6A4
SCHEMBL1115269 0.69 MAPK8 (0.52) ICMTMPOMAPK8SLC6A4
SCHEMBL30148003 0.69 MAPK8 (0.52) ICMTMPOMAPK8SLC6A4
Hydrochloric Acid SCHEMBL8894497 0.68 IDO1 (0.52) ICMTMPOMAPK8SLC6A4
SCHEMBL28148702 0.67 ICMT (0.47) ICMTMPOMAPK8SLC6A4
SCHEMBL1345638 0.66 P2RX7 (0.45) ICMTMPOPKMMAPK8SLC6A4
SCHEMBL1395757 0.66 ALDH1A1 (0.44) ICMTMPOMAPTSLC6A4ALDH1A1

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
CN-110885328-B Sulfonamide compounds as sodium channel blockers and uses thereof 成都康弘药业集团股份有限公司 2022-08-12 — — CN disclosed
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