SCHEMBL28919046

SCHEMBL28919046

CCOC(=O)c1ccc(N2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)c(Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ P2RY12 Q9H244 1/20 0.56
▸ ALDH1A1 P00352 1/20 0.56
▸ MAPT P10636 5/20 0.52
▸ LMNA P02545 3/20 0.52
▸ TP53 P04637 2/20 0.52
▸ NR1H4 Q96RI1 1/20 0.52
▸ PRMT1 Q99873 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ THRB P10828 1/20 0.48

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
SCHEMBL28919043 0.92 ALDH1A1 (0.52) P2RY12ALDH1A1MAPTLMNATP53
SCHEMBL28919053 0.86 MAPT (0.61) ALDH1A1MAPTLMNATP53CYP2C9
SCHEMBL28919025 0.82 NR1H4 (0.58) ALDH1A1MAPTLMNATP53NR1H4
SCHEMBL30080500 0.82 NR1H4 (0.58) ALDH1A1MAPTLMNATP53NR1H4
SCHEMBL1398494 0.81 ALDH1A1 (0.61) P2RY12ALDH1A1MAPTLMNATP53
SCHEMBL28919037 0.80 MAPT (0.52) ALDH1A1MAPTLMNATP53CYP2C9
SCHEMBL30725450 0.79 NR1H4 (0.63) ALDH1A1MAPTLMNATP53NR1H4
SCHEMBL29174559 0.79 NR1H4 (0.63) ALDH1A1MAPTLMNATP53NR1H4
SCHEMBL28599298 0.78 PCSK9 (0.50) ALDH1A1MAPTLMNATP53THRB
SCHEMBL29519544 0.78 PCSK9 (0.50) ALDH1A1MAPTLMNATP53THRB

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 2 patents. 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
CN-115521272-A Benzenesulfonyl piperazine compound and medical application thereof 河北省人民医院 2022-12-27 — — CN disclosed
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