SCHEMBL7580346

SCHEMBL7580346

CC(C)c1ccc(S(=O)(=O)Nc2ccc(C#N)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.63
ALDH1A1 P00352 1/20 0.58
LMNA P02545 1/20 0.58
MAPT P10636 1/20 0.58
PKM P14618 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
CYP19A1 P11511 1/20 0.58
TP53 P04637 1/20 0.56
THRB P10828 1/20 0.56
BRD4 O60885 2/20 0.54
BRD1 O95696 4/20 0.54
BRPF1 P55201 4/20 0.54
BRPF3 Q9ULD4 3/20 0.54
PGR P06401 1/20 0.54
AR P10275 1/20 0.53
POLB P06746 1/20 0.52
TRIM24 O15164 1/20 0.51
HSD11B1 P28845 1/20 0.51
CACNA1H O95180 1/20 0.51
CACNA1B Q00975 1/20 0.51

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
SCHEMBL6555449 0.83 KDM1A (0.68) KDM1AALDH1A1LMNAMAPTCYP19A1
SCHEMBL7572500 0.83 CES1 (0.73) KDM1AALDH1A1LMNAMAPTCYP19A1
SCHEMBL27888183 0.83 CA1 (0.65) KDM1AALDH1A1MAPTCYP19A1TP53
SCHEMBL6554559 0.83 CES1 (0.73) KDM1AALDH1A1LMNAMAPTCYP19A1
SCHEMBL7590378 0.81 CCR2 (0.48) KDM1AMAPTSMN1; SMN2TP53BRD1
SCHEMBL11976998 0.81 ALDH1A1 (0.64) ALDH1A1LMNAMAPTPKMSMN1; SMN2
SCHEMBL7572277 0.81 CES1 (0.76) ALDH1A1LMNAMAPTPKMSMN1; SMN2
SCHEMBL7281538 0.80 KDM1A (0.68) KDM1ALMNAMAPTSMN1; SMN2CYP19A1
SCHEMBL96241 0.80 KDM1A (0.64) KDM1AALDH1A1MAPTPKMCYP19A1
SCHEMBL95042 0.80 MAPT (0.62) ALDH1A1LMNAMAPTPKMSMN1; SMN2

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
EP-1239852-A2 BISSULFONAMIDE DERIVATIVES AS ENZYME INHIBITORS Arrow Therapeutics Limited (GB) 2002-09-18 EP disclosed
WO-2001028537-A2 BISSULFONAMIDE DERIVATIVES AS ENZYME INHIBITORS ARROW THERAPEUTICS LIMITED (GB) 2001-04-26 WO disclosed