SCHEMBL7266014

SCHEMBL7266014

CC(C)n1c(S(=O)(=O)c2ccc(O)cc2)nc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 4/20 0.44
TSHR P16473 4/20 0.44
KDM4E B2RXH2 3/20 0.44
LMNA P02545 2/20 0.44
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HSD17B10 Q99714 2/20 0.43
POLB P06746 4/20 0.42
RPS6KB1 P23443 1/20 0.40
GSK3B P49841 1/20 0.40
ROCK1 Q13464 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
SCHEMBL7274396 0.81 POLB (0.55) KMT2AMEN1ALDH1A1TSHRNPC1
SCHEMBL13031107 0.71 TSHR (0.57) KMT2AMEN1ALDH1A1TSHRKDM4E
SCHEMBL1980314 0.69 HSD17B10 (0.57) KMT2AALDH1A1TSHRKDM4ELMNA
Bromide SCHEMBL1982279 0.68 HSD17B10 (0.56) KMT2AALDH1A1TSHRKDM4ELMNA
SCHEMBL7266272 0.68 KDM4E (0.51) KMT2AMEN1ALDH1A1KDM4ENPC1
SCHEMBL26813752 0.67 HSD17B10 (0.58) KMT2AMEN1ALDH1A1TSHRKDM4E
SCHEMBL7267951 0.66 GAA (0.39) KMT2ALMNAGAASMN1; SMN2POLB
SCHEMBL2854775 0.66 HSD17B10 (0.57) KMT2AALDH1A1TSHRKDM4ELMNA
SCHEMBL27701536 0.65 HTR6 (0.37) KMT2AMEN1ALDH1A1TSHRKDM4E
SCHEMBL1104440 0.65 HSD17B10 (0.56) KMT2AMEN1ALDH1A1TSHRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0302793-B1 Aralkylaminoalkoxyphenyl derivatives, process of preparation and compositions containing the same SANOFI ELF (FR) 1993-12-15 EP disclosed
US-5215988-A Treating angina, hypertension, arrhythmia, cerebral vascular insufficiency SANOFI (FR) 1993-06-01 US disclosed
US-5182291-A Angina pectoris, hypotensive, antiarrhythmia, cerebral vascular insufficiency SANOFI (FR) 1993-01-26 US disclosed
US-5147878-A Hypotensive, antiarrhythmia agents SANOFI (FR) 1992-09-15 US disclosed
US-5039700-A Cardiovascular disorders, antitumor agents SANOFI (FR) 1991-08-13 US disclosed
US-5017579-A Use of aminoalkoxyphenyl derivatives for reducing and/or controlling excessive intraocular pressure SANOFI (FR) 1991-05-21 US disclosed
US-4994474-A Hypotensive agents SANOFI (FR) 1991-02-19 US disclosed
US-4957925-A HYPOTENSIVE AGENTS, ANTIARRHYTHMIA AGENTS, TREATMENT OF ANGINA SANOFI (FR) 1990-09-18 US disclosed
EP-0302793-A2 Aralkylaminoalkoxyphenyl derivatives, process of preparation and compositions containing the same ELF SANOFI (FR) 1989-02-08 EP disclosed