SCHEMBL7285759

SCHEMBL7285759

Nc1ccc(Oc2ccccc2)cc1S

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.54
MAOB P27338 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
MAPT P10636 2/20 0.50
ALDH1A1 P00352 2/20 0.50
MITF O75030 1/20 0.50
GAA P10253 1/20 0.50
GFER P55789 1/20 0.50
NLRP1 Q9C000 1/20 0.50
NOD2 Q9HC29 1/20 0.50
NR4A1 P22736 1/20 0.50
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
NLRP3 Q96P20 1/20 0.48
LTA4H P09960 4/20 0.48
TSHR P16473 1/20 0.48
TP53 P04637 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL31547358 1.00 MAOA (0.54) MAOAMAOBSMN1; SMN2MEN1KMT2A
SCHEMBL720132 0.92 NR4A1 (0.58) MAOAMAOBSMN1; SMN2MEN1KMT2A
SCHEMBL716024 0.89 NR4A1 (0.61) MAOAMAOBSMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL9796939 0.87 NR4A1 (0.58) MAOAMAOBSMN1; SMN2MEN1KMT2A
SCHEMBL20769259 0.86 ALDH1A1 (0.58) MAOAMAOBSMN1; SMN2MEN1KMT2A
SCHEMBL720131 0.84 GAA (0.52) MAOAMAOBSMN1; SMN2MEN1KMT2A
SCHEMBL7284080 0.82 NR4A1 (0.48) SMN1; SMN2MEN1KMT2AMAPTALDH1A1
SCHEMBL7285325 0.82 MAOA (0.55) MAOAMAOBSMN1; SMN2MEN1KMT2A
SCHEMBL7283647 0.82 SMN1; SMN2 (0.50) SMN1; SMN2MEN1KMT2AMAPTALDH1A1
SCHEMBL7292290 0.82 ALDH1A1 (0.64) SMN1; SMN2MEN1KMT2AMAPTALDH1A1

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
EP-0353032-B1 1,5-BENZOTHIAZEPINE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF CARDIOVASCULAR DISORDERS Sankyo Company Limited (JP) 1992-02-26 EP disclosed
US-5002942-A Calcium channel blockers for cardiovascular disorders SANKYO COMPANY, LIMITED (JP) 1991-03-26 US disclosed
EP-0353032-A1 1,5-benzothiazepine derivatives, their preparation and their use in the treatment of cardiovascular disorders Sankyo Company Limited (JP) 1990-01-31 EP disclosed