SCHEMBL29668732

SCHEMBL29668732

OCc1c(Cl)cccc1CN1CC2(COC2)C1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SCN1A P35498 2/20 0.44
▸ SCN5A Q14524 2/20 0.44
▸ SCN8A Q9UQD0 2/20 0.44
▸ CYP2A13 Q16696 6/20 0.41
▸ PDCD1 Q15116 1/20 0.38
▸ CD274 Q9NZQ7 1/20 0.38
▸ GHSR Q92847 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.35
▸ SIGMAR1 Q99720 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ GAA P10253 1/20 0.34
▸ OPRM1 P35372 1/20 0.34
▸ OPRD1 P41143 1/20 0.34
▸ CNR2 P34972 1/20 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
SCHEMBL20237767 1.00 SCN1A (0.44) SCN1ASCN5ASCN8ACYP2A13PDCD1
SCHEMBL29668886 0.86 SCN1A (0.44) SCN1ASCN5ASCN8ACYP2A13PDCD1
SCHEMBL20237436 0.86 SCN1A (0.44) SCN1ASCN5ASCN8ACYP2A13PDCD1
SCHEMBL20256843 0.83 PDCD1LG2 (0.44) SCN1ASCN5ASCN8ACYP2A13CD274
SCHEMBL20238852 0.79 SCN1A (0.42) SCN1ASCN5ASCN8ACYP2A13PDCD1
SCHEMBL29668750 0.79 SCN1A (0.42) SCN1ASCN5ASCN8ACYP2A13PDCD1
SCHEMBL20256954 0.78 CYP2A13 (0.69) CYP2A13KDM4EALDH1A1POLBOPRM1
SCHEMBL20238193 0.76 KDM4E (0.58) CYP2A13KDM4EALDH1A1POLBSIGMAR1
SCHEMBL29668956 0.76 KDM4E (0.58) CYP2A13KDM4EALDH1A1POLBSIGMAR1
SCHEMBL20238623 0.74 RORC (0.48) PDCD1CD274GHSRALDH1A1

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-110325531-B Benzenesulfonamides and their use as therapeutic agents 泽农医药公司 2022-05-27 — — CN disclosed
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