SCHEMBL8944299

SCHEMBL8944299

O=C1CCc2c(ccc3cc(Cl)ccc23)N1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.46
CMA1 P23946 1/20 0.46
KIF11 P52732 2/20 0.42
IDH1 O75874 1/20 0.40
F11 P03951 1/20 0.40
PKM P14618 3/20 0.40
SRD5A1 P18405 1/20 0.39
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
TYMS P04818 1/20 0.38
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
CES1 P23141 2/20 0.37
TGM2 P21980 1/20 0.37
CCNB2 O95067 1/20 0.36
CDK1 P06493 1/20 0.36
CCNB1 P14635 1/20 0.36
GSK3B P49841 1/20 0.36

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
SCHEMBL8944351 0.77 CYP2C19 (0.47) KIF11PKMMAPTCDK5CDK5R1
SCHEMBL1764573 0.73 AHR (0.70) AHRCMA1KIF11IDH1PKM
SCHEMBL2395389 0.73 AHR (0.70) AHRCMA1PKMSRD5A1MAOA
SCHEMBL29754265 0.73 AHR (0.70) AHRCMA1PKMSRD5A1MAOA
SCHEMBL772241 0.70 CES1 (0.53) AHRCMA1PKMSRD5A1MEN1
SCHEMBL6959254 0.70 AHR (0.51) AHRCMA1PKMSRD5A1MAOA
SCHEMBL1184405 0.70 TGM2 (0.53) AHRCMA1PKMSRD5A1MEN1
SCHEMBL31170797 0.69 NOTUM (0.53) AHRCMA1KIF11PKMMEN1
Sulfuric Acid SCHEMBL8944460 0.69 PKM (0.43) PKMMAPTCDK5CDK5R1
SCHEMBL31734655 0.69 AHR (0.69) AHRCMA1MEN1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0724440-A4 DI- AND TETRA-HYDROBENZO F]QUINOLIN-3-ONES SMITHKLINE BEECHAM CORP (US) 1996-11-20 EP claimed
EP-0724440-A1 DI- AND TETRA-HYDROBENZO F]QUINOLIN-3-ONES SMITHKLINE BEECHAM CORPORATION (US) 1996-08-07 EP claimed
WO-1995005821-A1 DI- AND TETRA-HYDROBENZO[F]QUINOLIN-3-ONES SMITHKLINE BEECHAM CORPORATION (US) 1995-03-02 WO claimed
EP-0724440-A4 DI- AND TETRA-HYDROBENZO F]QUINOLIN-3-ONES SMITHKLINE BEECHAM CORP (US) 1996-11-20 EP disclosed
EP-0724440-A1 DI- AND TETRA-HYDROBENZO F]QUINOLIN-3-ONES SMITHKLINE BEECHAM CORPORATION (US) 1996-08-07 EP disclosed
WO-1995005821-A1 DI- AND TETRA-HYDROBENZO[F]QUINOLIN-3-ONES SMITHKLINE BEECHAM CORPORATION (US) 1995-03-02 WO disclosed