SCHEMBL8533377

SCHEMBL8533377

CC(=O)c1ccc(N)cc1.O=S(=O)(O)Cl

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.60
RAB9A P51151 2/20 0.60
NPC1 O15118 1/20 0.60
STS P08842 1/20 0.48
TSHR P16473 2/20 0.45
ALDH1A1 P00352 1/20 0.45
NT5E P21589 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
DHFR P00374 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
NOS3 P29474 2/20 0.44
NOS1 P29475 2/20 0.44
HPGD P15428 2/20 0.43
LMNA P02545 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP19A1 P11511 1/20 0.43
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42

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
SCHEMBL11482830 0.94 MAPT (0.62) MAPTRAB9ANPC1STSTSHR
SCHEMBL223335 0.87 MAPT (0.75) MAPTRAB9ANPC1STSALDH1A1
SCHEMBL11646587 0.84 MAPT (0.72) MAPTRAB9ANPC1STSALDH1A1
Hydrochloric Acid SCHEMBL4289450 0.84 MAPT (0.72) MAPTRAB9ANPC1STSALDH1A1
Hydrochloric Acid SCHEMBL4372451 0.84 MAPT (0.72) MAPTRAB9ANPC1STSALDH1A1
SCHEMBL3790067 0.80 MAPT (0.67) MAPTRAB9ANPC1ALDH1A1SMN1; SMN2
Benzidine SCHEMBL9390356 0.80 MAPT (0.67) MAPTRAB9ANPC1ALDH1A1SMN1; SMN2
Acetophenone SCHEMBL28341606 0.78 MAPT (0.64) MAPTRAB9ANPC1ALDH1A1SMN1; SMN2
Acetophenone SCHEMBL10453049 0.78 MAPT (0.56) MAPTRAB9ANPC1STSTSHR
SCHEMBL28066023 0.77 MAPT (0.62) MAPTRAB9ANPC1STSALDH1A1

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-0668274-B1 Sulfonamidodioxepanes with hypoglycemic activity, methods of preparation, intermediates and salts thereof PLIVA PHARM & CHEM WORKS (HR) 1998-08-26 EP disclosed
EP-0668274-A1 Sulfonamidodioxepanes with hypoglycermic activity, methods of preparation, intermediates and salts thereof PLIVA, farmaceutska, kemijska, prehrambena i kozmeticka industrija, dionicko drustvo (HR) 1995-08-23 EP disclosed