SCHEMBL8954086

SCHEMBL8954086

CCOC(=O)/C(=C/Br)Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
NR1H4 Q96RI1 1/20 0.45
ALDH1A1 P00352 4/20 0.44
MAPT P10636 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
GAA P10253 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
MAPK1 P28482 1/20 0.42
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
AKR1B1 P15121 1/20 0.41
PAM P19021 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL8954089 1.00 MEN1 (0.50) MEN1KMT2ANR1H4ALDH1A1MAPT
SCHEMBL265270 0.87 MEN1 (0.53) MEN1KMT2ANR1H4ALDH1A1MAPT
SCHEMBL857454 0.85 MEN1 (0.51) MEN1KMT2ANR1H4ALDH1A1MAPT
SCHEMBL857453 0.85 MEN1 (0.51) MEN1KMT2ANR1H4ALDH1A1MAPT
SCHEMBL27619575 0.84 MEN1 (0.50) MEN1KMT2ANR1H4ALDH1A1MAPT
SCHEMBL5612021 0.83 KMT2A (0.49) MEN1KMT2ANR1H4ALDH1A1MAPT
SCHEMBL5612012 0.83 KMT2A (0.49) MEN1KMT2ANR1H4ALDH1A1MAPT
Ammonia Solution, Strong SCHEMBL27559312 0.81 MEN1 (0.47) MEN1KMT2ANR1H4ALDH1A1MAPT
SCHEMBL1119176 0.78 CES2 (0.59) MEN1KMT2ANR1H4ALDH1A1MAPT
SCHEMBL2320774 0.77 CYP2C9 (0.63) MEN1KMT2AALDH1A1MAPTCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5530017-A CONGESTIVE HEART FAILURE, RENAL FAILURE AND GLAUCOMA SMITHKLINE BEECHAM CORP (US) 1996-06-25 US disclosed
US-5444080-A Hypotensive agents SMITHKLINE BEECHAM CORPORATION (US) 1995-08-22 US disclosed
EP-0541705-A4 SUBSTITUTED 1H-IMIDAZOL-5-YL)ALKANOIC ACIDS 1993-11-10 EP disclosed
EP-0541705-A1 SUBSTITUTED 1H-IMIDAZOL-5-YL]ALKANOIC ACIDS SMITHKLINE BEECHAM CORPORATION (US) 1993-05-19 EP disclosed
WO-1992002510-A1 SUBSTITUTED [1H-IMIDAZOL-5-YL]ALKANOIC ACIDS SMITHKLINE BEECHAM CORPORATION (US) 1992-02-20 WO disclosed