SCHEMBL29043226

SCHEMBL29043226

O=C(O)c1ccc(CCN2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)o1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.56
▸ POLB P06746 2/20 0.56
▸ ALDH1A1 P00352 2/20 0.48
▸ TSHR P16473 2/20 0.48
▸ HTT P42858 2/20 0.48
▸ NR1H4 Q96RI1 1/20 0.48
▸ MEN1 O00255 1/20 0.46
▸ CNR1 P21554 1/20 0.45
▸ THRB P10828 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.41
▸ ATM Q13315 1/20 0.41

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
SCHEMBL28919157 0.91 POLB (0.58) KMT2APOLBALDH1A1TSHRHTT
SCHEMBL28919028 0.88 PKM (0.51) KMT2APOLBALDH1A1HTTTDP1
SCHEMBL28919081 0.82 KMT2A (0.54) KMT2APOLBNR1H4MEN1CNR1
SCHEMBL28919079 0.78 CNR1 (0.51) KMT2APOLBALDH1A1TSHRMEN1
SCHEMBL28919050 0.78 HTT (0.54) KMT2APOLBALDH1A1HTTTDP1
SCHEMBL28919048 0.78 ALDH1A1 (0.67) KMT2APOLBALDH1A1TSHRHTT
SCHEMBL21198678 0.76 HTT (0.56) KMT2APOLBALDH1A1HTTSMN1; SMN2
SCHEMBL28919023 0.75 CNR1 (0.45) KMT2APOLBNR1H4MEN1CNR1
SCHEMBL21202227 0.75 HTT (0.55) KMT2APOLBALDH1A1HTTSMN1; SMN2
SCHEMBL28919078 0.73 MEN1 (0.43) KMT2APOLBNR1H4MEN1CNR1

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
Send feedback