SCHEMBL7267908

SCHEMBL7267908

O=S(=O)(c1ccc(O)cc1)c1nccn1Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LIMK2 P53671 1/20 0.47
▸ HSP90AA1 P07900 2/20 0.46
▸ OPRD1 P41143 4/20 0.44
▸ ALDH1A1 P00352 1/20 0.43
▸ FDPS P14324 1/20 0.42
▸ HSP90AB1 P08238 1/20 0.42
▸ HSP90B1 P14625 1/20 0.42
▸ OPRK1 P41145 3/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ MMP2 P08253 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ ESR1 P03372 1/20 0.39

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
SCHEMBL7268077 0.83 CYP1A2 (0.54) LIMK2OPRD1ALDH1A1HSP90B1OPRK1
SCHEMBL8688339 0.73 LIMK2 (0.59) LIMK2HSP90AA1OPRD1ALDH1A1FDPS
SCHEMBL7936687 0.71 HSP90AA1 (0.55) HSP90AA1OPRD1ALDH1A1FDPSOPRK1
SCHEMBL7267951 0.69 GAA (0.39) KMT2AESR1
SCHEMBL28413277 0.68 RAB9A (0.51) OPRD1ALDH1A1OPRK1
SCHEMBL418384 0.67 RAB9A (0.57) HSP90AA1OPRD1ALDH1A1FDPSOPRK1
Hydrochloric Acid SCHEMBL10505424 0.67 RAB9A (0.50) OPRD1ALDH1A1OPRK1
SCHEMBL9642554 0.66 TSHR (0.56) MMP2HDAC6ESR1
SCHEMBL7937451 0.66 HTR6 (0.70) MEN1KMT2AESR1
Phenol SCHEMBL6905378 0.66 HTR6 (0.62) ESR1

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
Send feedback