SCHEMBL8416889

SCHEMBL8416889

CCCc1nc(Sc2ccc(O)cc2)c(C=O)n1Cc1cc2c(cc1Cl)OCO2

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 1/20 0.51
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
AGTR1 P30556 3/20 0.36
AGTR2 P50052 3/20 0.36
MAPT P10636 2/20 0.32
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
LMNA P02545 1/20 0.32
GFER P55789 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
SLC22A12 Q96S37 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
SCHEMBL6160989 0.85 EDNRA (0.46) EDNRAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL6164112 0.79 EDNRA (0.49) EDNRAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL6159406 0.79 EDNRA (0.63) EDNRAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL8434286 0.78 EDNRA (0.64) EDNRAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL8784081 0.77 MAPK1 (0.41) EDNRAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL6160979 0.77 EDNRA (0.63) EDNRAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL6588042 0.76 BRS3 (0.40) EDNRAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL7506559 0.76 BRS3 (0.40) EDNRAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL8431316 0.76 EDNRA (0.52) EDNRAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL6159408 0.76 EDNRA (0.52) EDNRAKDM4EALDH1A1HPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5986103-A IMIDAZOLE SUBSTITUTED BENZENE AND REDUCTION OF ABNORMAL STIMULATION OF ENDOTHELIN RECEPTORS HOECHST MARION ROUSSEL (FR) 1999-11-16 US disclosed