SCHEMBL7280673

SCHEMBL7280673

BrCCCOc1cccc2nc[nH]c12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 5/20 0.36
ABL1 P00519 1/20 0.35
RAD52 P43351 1/20 0.35
RIN1 Q13671 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.33
RAB9A P51151 3/20 0.33
KDM4E B2RXH2 2/20 0.33
PKM P14618 1/20 0.33
PDE5A O76074 1/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33
NPC1 O15118 2/20 0.32
MAPT P10636 1/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
CYBB P04839 1/20 0.32
NOX5 Q96PH1 1/20 0.32
PARP1 P09874 4/20 0.32

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
SCHEMBL250299 0.83 BRD4 (0.46) NCF1PDE5AMAPTBRD4
SCHEMBL11784078 0.82 PDE5A (0.47) ABL1RAD52RIN1PDE5APARP1
SCHEMBL8284793 0.82 IDO1 (0.37) NCF1ABL1RAD52RIN1SMN1; SMN2
SCHEMBL8486078 0.82 KDM4E (0.48) NCF1ABL1RAD52RIN1SMN1; SMN2
SCHEMBL8130860 0.82 PARP1 (0.36) NCF1ABL1RAD52RIN1SMN1; SMN2
SCHEMBL7280669 0.74 DRD4 (0.57) ABL1RAD52RIN1SMN1; SMN2RAB9A
SCHEMBL9529350 0.74 MAPT (0.50) SMN1; SMN2RAB9ADRD2NPC1MAPT
SCHEMBL3082549 0.74 ABL1 (0.54) ABL1RAD52RIN1SMN1; SMN2RAB9A
SCHEMBL29579323 0.74 KDM4E (0.55) SMN1; SMN2KDM4EDRD4ALDH1A1
SCHEMBL31538912 0.73 ABL1 (0.53) ABL1RAD52RIN1SMN1; SMN2RAB9A

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-0302792-B1 Alkylaminoalkoxyphenyl derivatives, process of preparation and compositions containing the same SANOFI SA (FR) 1994-10-26 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-0302792-A2 Alkylaminoalkoxyphenyl derivatives, process of preparation and compositions containing the same SANOFI (FR) 1989-02-08 EP disclosed