SCHEMBL8939645

SCHEMBL8939645

CC(=O)Oc1ccc(C(c2ccc(OC(C)=O)cc2)c2ccccc2S(=O)(=O)NC2CCN(Cc3ccccc3)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.55
MEN1 O00255 3/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C19 P33261 1/20 0.48
RECQL P46063 1/20 0.48
ALDH1A1 P00352 2/20 0.48
USP2 O75604 1/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
OPRK1 P41145 1/20 0.45
PDK1 Q15118 1/20 0.45
PDK2 Q15119 1/20 0.45
PDK3 Q15120 1/20 0.45
PDK4 Q16654 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
THRB P10828 1/20 0.45
LMNA P02545 1/20 0.44

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
SCHEMBL8939639 0.86 KMT2A (0.54) KMT2AMEN1CYP3A4CYP2D6CYP2C19
SCHEMBL8939608 0.83 ALDH1A1 (0.44) KMT2AMEN1CYP3A4ALDH1A1HTT
SCHEMBL8939637 0.83 ALDH1A1 (0.44) KMT2AMEN1CYP3A4ALDH1A1HTT
SCHEMBL8939658 0.83 ALDH1A1 (0.44) KMT2AMEN1CYP3A4ALDH1A1HTT
SCHEMBL9019620 0.75 KDM4E (0.40) KMT2AMEN1CYP3A4ALDH1A1OPRK1
SCHEMBL8939597 0.72 LMNA (0.46) KMT2AMEN1CYP3A4ALDH1A1HTT
SCHEMBL8939673 0.72 LMNA (0.50) KMT2AMEN1CYP3A4ALDH1A1SMN1; SMN2
SCHEMBL8939638 0.71 MMP2 (0.49) KMT2AMEN1CYP3A4ALDH1A1USP2
SCHEMBL3961060 0.71 HTT (0.64) KMT2AMEN1CYP3A4CYP2D6CYP2C19
SCHEMBL1340082 0.71 HTT (0.55) 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