SCHEMBL8613559

SCHEMBL8613559

Cc1ccc(S(=O)(=O)N(CC2CO2)c2ccccc2)cc1

nearest known ligand 0.86

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.86
MEN1 O00255 2/20 0.86
LMNA P02545 3/20 0.81
L3MBTL1 Q9Y468 2/20 0.68
ALDH1A1 P00352 1/20 0.68
POLB P06746 1/20 0.68
KDM4E B2RXH2 1/20 0.54
USP2 O75604 1/20 0.52
CA12 O43570 1/20 0.51
CA9 Q16790 1/20 0.51
CNR2 P34972 2/20 0.51
CNR1 P21554 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.50
KEAP1 Q14145 1/20 0.50
NFE2L2 Q16236 1/20 0.50
BACE1 P56817 1/20 0.49
ALOX15 P16050 1/20 0.49

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
SCHEMBL8612623 0.79 LMNA (0.69) KMT2AMEN1LMNAL3MBTL1ALDH1A1
SCHEMBL22204443 0.78 MEN1 (0.68) KMT2AMEN1LMNACA12CA9
SCHEMBL5604160 0.77 ESR1 (0.73) KMT2AMEN1ALDH1A1CA12CA9
SCHEMBL4335752 0.76 KMT2A (0.62) KMT2AMEN1LMNAALDH1A1CA12
SCHEMBL1618178 0.76 LMNA (0.73) KMT2AMEN1LMNAL3MBTL1ALDH1A1
SCHEMBL2966811 0.76 LMNA (0.73) KMT2AMEN1LMNAL3MBTL1ALDH1A1
SCHEMBL22204394 0.75 MEN1 (0.65) KMT2AMEN1LMNAL3MBTL1ALDH1A1
SCHEMBL8224221 0.75 ESR1 (0.75) KMT2AMEN1LMNAALDH1A1CA12
SCHEMBL22204406 0.74 MEN1 (0.63) KMT2AMEN1LMNAL3MBTL1ALDH1A1
SCHEMBL699184 0.74 KEAP1 (0.88) KMT2AL3MBTL1CA12CA9KEAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-57016876-A None JP disclosed
EP-0549796-B1 DIPHENYLPIPERAZINE DERIVATIVE AND DRUG FOR CIRCULATORY ORGAN CONTAINING THE SAME POLA CHEM IND INC (JP) 1998-04-29 EP disclosed
US-5391552-A Has strong antagonism against calcium with less side effects POLA CHEMICAL INDUSTRIES, INC. (JP) 1995-02-21 US disclosed
EP-0612738-A1 Diphenylpiperazine derivative and drug for circulatory organ containing the same POLA CHEMICAL INDUSTRIES, INC. (JP) 1994-08-31 EP disclosed
EP-0549796-A1 DIPHENYLPIPERAZINE DERIVATIVE AND DRUG FOR CIRCULATORY ORGAN CONTAINING THE SAME POLA CHEMICAL INDUSTRIES INC (JP) 1993-07-07 EP disclosed
JP-S5716876-A MONOEPOXIDE TEIJIN LTD 1982-01-28 JP disclosed