SCHEMBL9739246

SCHEMBL9739246

CN(C)c1cc[c]c(-c2ccc(F)cc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 6/20 0.41
MAPK1 P28482 5/20 0.35
ALDH1A1 P00352 4/20 0.35
USP2 O75604 3/20 0.35
CYP1A2 P05177 3/20 0.35
CYP3A4 P08684 3/20 0.35
CYP2D6 P10635 3/20 0.35
ALOX15 P16050 3/20 0.35
CYP2C19 P33261 3/20 0.35
CLK4 Q9HAZ1 3/20 0.35
MEN1 O00255 2/20 0.35
TP53 P04637 2/20 0.35
CYP2C9 P11712 2/20 0.35
KMT2A Q03164 2/20 0.35
HSD17B10 Q99714 2/20 0.35
GLA P06280 1/20 0.35
TCF4 P15884 1/20 0.35
CTNNB1 P35222 1/20 0.35
LMNA P02545 1/20 0.33
ALOX5 P09917 1/20 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
SCHEMBL8064164 0.87 ALDH1A1 (0.44) APPMAPK1ALDH1A1CYP1A2CYP3A4
SCHEMBL9739215 0.82 APP (0.41) APPMAPK1ALDH1A1USP2CYP1A2
SCHEMBL10350058 0.82 CYP3A4 (0.47) MAPK1ALDH1A1CYP3A4ALOX15MEN1
SCHEMBL10888147 0.81 PSMB5 (0.38) MAPK1ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL10898487 0.80 PTGS2 (0.32)
SCHEMBL10887641 0.79 APP (0.46) APPMAPK1ALDH1A1TP53HSD17B10
SCHEMBL6721284 0.79 MAPT (0.50) APPALDH1A1ALOX15CLK4MEN1
SCHEMBL7479982 0.78 ALDH1A1 (0.40) MAPK1ALDH1A1CYP1A2CYP3A4ALOX15
SCHEMBL5797082 0.77 MAOB (0.35) ALDH1A1CYP1A2CYP3A4CYP2C19CYP2C9
SCHEMBL10415428 0.76 AHR (0.42) USP2CYP3A4CYP2D6MEN1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5134150-A Administering diaryl-substituted imidazothiazoles; antiarthritic agents SMITHKLINE BEECHAM CORPORATION (US) 1992-07-28 US disclosed
US-4808607-A ATHEROSCLEROSIS, HYPERLIPOPROTEINEMIA SANDOZ PHARM. CORP. (US) 1989-02-28 US disclosed