SCHEMBL9007901

SCHEMBL9007901

COc1ncnc(Nc2ccc(S(=O)(=O)NC(C)=O)cc2)c1OC

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.58
GAA P10253 2/20 0.48
HSD17B10 Q99714 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
DHFR P00374 1/20 0.46
TSHR P16473 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
POLB P06746 2/20 0.45
PKM P14618 1/20 0.44
HTT P42858 1/20 0.44
CYP19A1 P11511 1/20 0.43
ALDH1A1 P00352 3/20 0.43
MAPT P10636 2/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
OPRK1 P41145 1/20 0.40
IDO1 P14902 1/20 0.40
PIP4K2A P48426 1/20 0.40

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
SCHEMBL7052503 0.81 ESR1 (0.61) ESR1POLB
SCHEMBL2728564 0.81 GAA (0.69) ESR1GAASMN1; SMN2POLBHTT
SCHEMBL2252773 0.74 TTBK1 (0.66)
Sulfadoxine SCHEMBL41069 0.74 ESR1 (1.00) ESR1SMN1; SMN2DHFRTSHRCYP19A1
Sulfadoxine SCHEMBL29390814 0.74 ESR1 (1.00) ESR1SMN1; SMN2DHFRTSHRCYP19A1
Sulfadoxine SCHEMBL28537335 0.73 ESR1 (0.97) ESR1SMN1; SMN2DHFRTSHRCYP19A1
Sulfadoxine SCHEMBL27856131 0.73 ESR1 (0.97) ESR1SMN1; SMN2DHFRTSHRCYP19A1
Sulfadoxine SCHEMBL28436237 0.73 ESR1 (0.97) ESR1SMN1; SMN2DHFRTSHRCYP19A1
Sulfadoxine SCHEMBL28359083 0.73 ESR1 (0.97) ESR1SMN1; SMN2DHFRTSHRCYP19A1
SCHEMBL2256007 0.71 LMNA (0.72) POLBHTTALDH1A1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0236002-B2 Pharmaceutical composition comprising a medicament and a water-swellable polymer MALLINCKRODT VETERINARY INC (US) 1996-10-23 EP disclosed
EP-0416722-B1 Pharmaceutical compositions having differential drug release rate PITMAN MOORE LTD (GB) 1994-09-28 EP disclosed
US-5190760-A Drugs for bactericides and anthelmintics COOPERS ANIMAL HEALTH LIMITED (GB) 1993-03-02 US disclosed
EP-0416722-A2 Pharmaceutical compositions having differential drug release rate PITMAN-MOORE LIMITED (GB) 1991-03-13 EP disclosed
EP-0236002-A2 Pharmaceutical composition comprising a medicament and a water-swellable polymer MALLINCKRODT VETERINARY, INC. (US) 1987-09-09 EP disclosed