SCHEMBL28919081

SCHEMBL28919081

O=C(O)c1ccc(CCN2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.54
▸ MEN1 O00255 5/20 0.54
▸ DHCR7 Q9UBM7 1/20 0.53
▸ EBP Q15125 1/20 0.51
▸ SIGMAR1 Q99720 1/20 0.51
▸ CNR1 P21554 1/20 0.48
▸ POLB P06746 1/20 0.46
▸ MAPK1 P28482 1/20 0.44
▸ KCNH2 Q12809 1/20 0.44
▸ ATM Q13315 1/20 0.43
▸ MET P08581 1/20 0.43
▸ NR1H4 Q96RI1 1/20 0.43
▸ RORC P51449 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
SCHEMBL28919079 0.89 CNR1 (0.51) KMT2AMEN1CNR1POLBMAPK1
SCHEMBL28919063 0.87 PKM (0.55) KMT2AMEN1DHCR7EBPSIGMAR1
SCHEMBL28919023 0.85 CNR1 (0.45) KMT2AMEN1CNR1POLBKCNH2
SCHEMBL10898562 0.84 KMT2A (0.64) KMT2AMEN1POLB
SCHEMBL10899451 0.83 KMT2A (0.75) KMT2AMEN1DHCR7EBPSIGMAR1
SCHEMBL29043226 0.82 KMT2A (0.56) KMT2AMEN1CNR1POLBATM
SCHEMBL28919078 0.82 MEN1 (0.43) KMT2AMEN1CNR1POLBKCNH2
SCHEMBL28919066 0.81 CNR1 (0.57) KMT2AMEN1CNR1POLBMAPK1
SCHEMBL10898269 0.79 DHCR7 (0.53) KMT2AMEN1DHCR7EBPSIGMAR1
SCHEMBL10898676 0.79 KMT2A (0.64) KMT2AMEN1DHCR7MAPK1KCNH2

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
Send feedback