SCHEMBL29043232

SCHEMBL29043232

CCc1sc(N2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)nc1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 1/20 0.46
▸ CNR1 P21554 1/20 0.43
▸ RAB9A P51151 1/20 0.40
▸ KDM2B Q8NHM5 1/20 0.40
▸ POLB P06746 2/20 0.39
▸ ATM Q13315 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ KMT2A Q03164 3/20 0.38
▸ MAPT P10636 4/20 0.38
▸ LMNA P02545 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ AR P10275 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ TP53 P04637 2/20 0.38

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
SCHEMBL29043227 0.79 PIK3CD (0.52) NR1H4CNR1RAB9APOLBATM
SCHEMBL28919038 0.74 CNR1 (0.47) NR1H4CNR1POLBATMKMT2A
SCHEMBL28919033 0.74 HDAC3 (0.58) NR1H4CNR1ATMKMT2ALMNA
SCHEMBL16594438 0.71 AR (0.56) KDM4EMAPTGAASMN1; SMN2AR
SCHEMBL28919024 0.71 POLB (0.49) RAB9APOLBKDM4EKMT2AMAPT
SCHEMBL28919029 0.69 HDAC3 (0.54) CNR1ATMKMT2AMAPTLMNA
Pivalate SCHEMBL28919013 0.68 CNR1 (0.60) NR1H4CNR1POLBATMKMT2A
SCHEMBL28919039 0.68 CNR1 (0.53) NR1H4CNR1POLBATMKDM4E
SCHEMBL30080496 0.67 NR1H4 (0.54) NR1H4CNR1POLBATMKDM4E
SCHEMBL2953334 0.67 ALDH1A1 (0.56) CNR1POLBKDM4EKMT2ALMNA

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-115521272-B Benzenesulfonyl piperazine compound and medical application thereof 河北省人民医院 2023-07-21 — — CN disclosed
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