SCHEMBL8950101

SCHEMBL8950101

COc1ccc(NS(=O)(=O)c2sccc2C2OCCO2)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.46
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.44
MAPT P10636 3/20 0.44
LMNA P02545 3/20 0.43
MAPK1 P28482 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HTT P42858 1/20 0.43
ALDH1A1 P00352 6/20 0.43
GAA P10253 1/20 0.43
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
PGR P06401 1/20 0.40
EDNRB P24530 1/20 0.40
EDNRA P25101 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
SCHEMBL8950605 0.86 LMNA (0.47) PKMKMT2AMEN1MAPTLMNA
SCHEMBL8950105 0.74 ALDH1A1 (0.39) LMNASMN1; SMN2ALDH1A1
SCHEMBL10373935 0.71 ALDH1A1 (0.45) ALDH1A1
SCHEMBL9079085 0.70 ALDH1A1 (0.35) LMNASMN1; SMN2HTTALDH1A1
SCHEMBL3057133 0.70 ALDH1A1 (0.44) ALDH1A1
SCHEMBL3017019 0.70 ALDH1A1 (0.41) ALDH1A1
SCHEMBL8862542 0.69 ALDH1A1 (0.38) PKMKMT2AMEN1MAPTALDH1A1
SCHEMBL8950073 0.67 ALDH1A1 (0.55) MAPTLMNAALDH1A1GAA
SCHEMBL790294 0.66 GAA (0.86) PKMKMT2AMEN1MAPTLMNA
SCHEMBL12293576 0.65 MAPT (0.67) PKMKMT2AMEN1MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996022099-A1 OPHTHALMIC COMPOSITIONS FOR TREATING GLAUCOMA ALCON LABORATORIES, INC. (US) 1996-07-25 WO disclosed
US-5538966-A ENZYME INHIBITORS FOR TREATMENT OF GLAUCOMA ALCON LABORATORIES, INC. (US) 1996-07-23 US disclosed
WO-1995019981-A1 THIENOTHIAZINE SULFONAMIDE DERIVATIVES PROCESS AND INTERMEDIATES FOR THEIR PREPARATION AND THEIR USE AS CARBONIC ANHYDRASE INHIBITORS ALCON LABORATORIES, INC. (US) 1995-07-27 WO disclosed