SCHEMBL8939639

SCHEMBL8939639

O=S(=O)(NC1CCN(Cc2ccccc2)CC1)c1ccccc1C(c1ccc(O)cc1)c1ccc(O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.54
MEN1 O00255 3/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C19 P33261 1/20 0.54
RECQL P46063 1/20 0.54
HTT P42858 1/20 0.54
ACHE P22303 2/20 0.51
BACE1 P56817 2/20 0.51
SIGMAR1 Q99720 2/20 0.51
ALDH1A1 P00352 3/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
THRB P10828 1/20 0.50
OPRK1 P41145 1/20 0.48
BCHE P06276 1/20 0.47
USP2 O75604 1/20 0.46
MAPT P10636 1/20 0.46
PDK1 Q15118 1/20 0.45
PDK2 Q15119 1/20 0.45
PDK3 Q15120 1/20 0.45

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
SCHEMBL8939645 0.86 KMT2A (0.55) KMT2AMEN1CYP3A4CYP2D6CYP2C19
SCHEMBL8939654 0.81 ALDH1A1 (0.51) KMT2AMEN1CYP3A4RECQLHTT
SCHEMBL8939701 0.81 ALDH1A1 (0.51) KMT2AMEN1CYP3A4RECQLHTT
SCHEMBL8939610 0.81 ALDH1A1 (0.51) KMT2AMEN1CYP3A4RECQLHTT
SCHEMBL9126589 0.78 SIGMAR1 (0.62) KMT2AMEN1CYP3A4CYP2D6CYP2C19
SCHEMBL9123556 0.78 ACHE (0.67) KMT2AMEN1ACHEBACE1SIGMAR1
SCHEMBL3961060 0.76 HTT (0.64) KMT2AMEN1CYP3A4CYP2D6CYP2C19
SCHEMBL6965515 0.74 HTT (0.85) KMT2AMEN1CYP3A4CYP2D6CYP2C19
SCHEMBL6749008 0.73 HTT (0.65) KMT2AMEN1CYP3A4CYP2D6CYP2C19
SCHEMBL3958348 0.73 KMT2A (0.65) KMT2AMEN1CYP3A4CYP2D6CYP2C19

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0626369-B1 BENZENESULFONAMIDE DERIVATIVE KYOWA HAKKO KOGYO KK (JP) 1996-09-18 EP disclosed
US-5523464-A BONE DISORDERS KYOWA HAKKO KOGYO CO., LTD. (JP) 1996-06-04 US disclosed
EP-0626369-A1 BENZENESULFONAMIDE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 1994-11-30 EP disclosed