SCHEMBL7698803

SCHEMBL7698803

CC(C)c1ccc(S(=O)(=O)NCC2CCCCC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.62
GBA1 P04062 1/20 0.54
EPHX1 P07099 1/20 0.52
EPHX2 P34913 1/20 0.52
ALDH1A1 P00352 4/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
MEN1 O00255 4/20 0.49
CYP2C9 P11712 1/20 0.49
HDAC4 P56524 1/20 0.48
POLB P06746 1/20 0.48
PARG Q86W56 1/20 0.48
USP2 O75604 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
TSHR P16473 1/20 0.47
STAT3 P40763 1/20 0.47
HTT P42858 1/20 0.47
HSD17B10 Q99714 1/20 0.47
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46

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
SCHEMBL4007108 0.87 GBA1 (0.56) KMT2AGBA1ALDH1A1MEN1CYP2C9
SCHEMBL7699722 0.83 KMT2A (0.68) KMT2AGBA1ALDH1A1SMN1; SMN2MEN1
SCHEMBL28113177 0.83 KMT2A (0.67) KMT2AGBA1ALDH1A1SMN1; SMN2MEN1
SCHEMBL4390035 0.82 KMT2A (0.60) KMT2AGBA1ALDH1A1MEN1CYP2C9
SCHEMBL4390037 0.82 KMT2A (0.60) KMT2AGBA1ALDH1A1MEN1CYP2C9
SCHEMBL7698041 0.80 KMT2A (0.67) KMT2AGBA1ALDH1A1SMN1; SMN2MEN1
SCHEMBL8396377 0.80 GBA1 (0.83) KMT2AGBA1ALDH1A1SMN1; SMN2MEN1
SCHEMBL7886816 0.80 GBA1 (0.83) KMT2AGBA1ALDH1A1SMN1; SMN2MEN1
SCHEMBL23052369 0.79 KMT2A (0.62) KMT2AGBA1ALDH1A1SMN1; SMN2MEN1
SCHEMBL29183291 0.79 ALDH1A1 (0.64) KMT2AALDH1A1SMN1; SMN2MEN1POLB

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
WO-2002057220-A1 HYDRAZIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME LES LABORATOIRES SERVIER (FR) 2002-07-25 WO disclosed