SCHEMBL10495674

SCHEMBL10495674

N#Cc1c(Cl)cc(Cl)c(C(=O)O)c1Cl

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.35
DPP4 P27487 1/20 0.35
GPR35 Q9HC97 1/20 0.35
MRGPRX4 Q96LA9 5/20 0.35
ALDH1A1 P00352 3/20 0.33
MAPK1 P28482 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
CCR2 P41597 1/20 0.33
TTR P02766 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HSD17B10 Q99714 1/20 0.32
EPAS1 Q99814 1/20 0.32
TSHR P16473 1/20 0.31
S1PR3 Q99500 1/20 0.31

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
SCHEMBL11727816 0.79 DPP4 (0.46) DPP4ALDH1A1MAPK1SMN1; SMN2TP53
SCHEMBL6082482 0.76 MAPK1 (0.55) GPR35ALDH1A1MAPK1SMN1; SMN2MEN1
SCHEMBL11504756 0.74 CYP3A4 (0.48) DPP4ALDH1A1MAPK1SMN1; SMN2TP53
SCHEMBL5712798 0.74 MEN1 (0.54) DPP4GPR35ALDH1A1MAPK1SMN1; SMN2
SCHEMBL1706740 0.74 GPR35 (0.46) DPP4GPR35MRGPRX4MEN1KMT2A
SCHEMBL6819863 0.74 TTR (0.56) NOTUMDPP4MRGPRX4ALDH1A1MAPK1
SCHEMBL21826618 0.73 DPP4 (0.48) DPP4MRGPRX4ALDH1A1KDM4EHSD17B10
SCHEMBL10495703 0.73 AKR1B1 (0.43) GPR35MRGPRX4HPGD
SCHEMBL5712792 0.73 MEN1 (0.52) NOTUMDPP4GPR35ALDH1A1MAPK1
SCHEMBL3695890 0.72 HPGD (0.50) ALDH1A1MAPK1SMN1; SMN2MEN1TP53

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-4869913-A DIETETICS SCHERING AKTIENGESELLSCHAFT (DE) 1989-09-26 US disclosed
US-4522839-A 3-Substituted 2,4,6-trihalogenated benzamides as sweetening agents SCHERING AKTIENGESELLSCHAFT (DE) 1985-06-11 US disclosed
EP-0055689-B1 3-SUBSTITUTED 2,4,6-TRIHALOGENOBENZAMIDES AND THEIR SALTS, THEIR PREPARATION AND THEIR USE AS SUBSTITUTES FOR NATURAL SWEETENING AGENTS, AND SWEETENERS CONTAINING THEM SCHERING AKTIENGESELLSCHAFT (DE) 1984-07-04 EP disclosed
US-4429152-A DIABETES, DIETETICS SCHERING, AKTIENGESELLSCHAFT (DE) 1984-01-31 US disclosed
EP-0055689-A1 3-Substituted 2,4,6-trihalogenobenzamides and their salts, their preparation and their use as substitutes for natural sweetening agents, and sweeteners containing them SCHERING AKTIENGESELLSCHAFT (DE) 1982-07-07 EP disclosed