SCHEMBL10495772

SCHEMBL10495772

N#Cc1c(I)cc(I)c(CCC(=O)O)c1I

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR17 Q13304 5/20 0.38
FFAR1 O14842 7/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
FFAR4 Q5NUL3 3/20 0.35
NPSR1 Q6W5P4 1/20 0.33
PCNA P12004 2/20 0.33
KEAP1 Q14145 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
POLB P06746 1/20 0.31
THRA P10827 1/20 0.31
THRB P10828 1/20 0.31
MAPK1 P28482 1/20 0.31
HIF1A Q16665 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
KDM4A O75164 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
SCHEMBL9696076 0.75 LMNA (0.53) GPR17FFAR1HPGDFFAR4NPSR1
SCHEMBL10495782 0.72 GPR17 (0.38) GPR17FFAR1HPGDFFAR4NPSR1
SCHEMBL9637092 0.71 GPR17 (0.57) GPR17FFAR1FFAR4NPSR1PCNA
SCHEMBL10495696 0.70 HPGD (0.42) ALDH1A1HPGDKMT2ATHRATHRB
SCHEMBL10495683 0.69 GPR17 (0.38) GPR17FFAR1KDM4EALDH1A1GLA
SCHEMBL20756505 0.69 TSHR (0.42) GPR17KDM4EALDH1A1GLAGAA
SCHEMBL7416187 0.68 FFAR1 (0.38) FFAR1KDM4EALDH1A1GLAGAA
SCHEMBL10495681 0.68 GPR17 (0.38) GPR17FFAR1KDM4EALDH1A1GLA
SCHEMBL8095483 0.66 CYP1A2 (0.50) GPR17ALDH1A1NPSR1MAPK1HIF1A
SCHEMBL10495691 0.65 TTR (0.52) KDM4EALDH1A1GAAMEN1KMT2A

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 3 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
US-4429152-A DIABETES, DIETETICS SCHERING, AKTIENGESELLSCHAFT (DE) 1984-01-31 US disclosed