SCHEMBL29668956

SCHEMBL29668956

OCc1c(Cl)cccc1CN1CCC1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.58
▸ ALDH1A1 P00352 5/20 0.58
▸ POLB P06746 1/20 0.58
▸ CYP2A13 Q16696 5/20 0.47
▸ SIGMAR1 Q99720 1/20 0.47
▸ PLA2G1B P04054 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ ATG4B Q9Y4P1 1/20 0.45
▸ HTT P42858 1/20 0.44
▸ MPO P05164 1/20 0.44
▸ CXCR4 P61073 3/20 0.43
▸ GAA P10253 1/20 0.42
▸ MAPT P10636 1/20 0.42

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
SCHEMBL20238193 1.00 KDM4E (0.58) KDM4EALDH1A1POLBCYP2A13SIGMAR1
SCHEMBL20256954 0.86 CYP2A13 (0.69) KDM4EALDH1A1POLBCYP2A13RAB9A
SCHEMBL20256476 0.83 ALDH1A1 (0.58) KDM4EALDH1A1POLBCYP2A13SIGMAR1
SCHEMBL29669166 0.83 KDM4E (0.58) KDM4EALDH1A1POLBCYP2A13SIGMAR1
SCHEMBL20238189 0.83 KDM4E (0.58) KDM4EALDH1A1POLBCYP2A13SIGMAR1
SCHEMBL23851311 0.78 SIGMAR1 (0.72) KDM4EALDH1A1POLBCYP2A13SIGMAR1
SCHEMBL20256843 0.76 PDCD1LG2 (0.44) KDM4EALDH1A1POLBCYP2A13SIGMAR1
SCHEMBL20237767 0.76 SCN1A (0.44) KDM4EALDH1A1POLBCYP2A13SIGMAR1
SCHEMBL29668732 0.76 SCN1A (0.44) KDM4EALDH1A1POLBCYP2A13SIGMAR1
SCHEMBL2660504 0.76 AKR1B1 (0.45) HTTGAA

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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