SCHEMBL8049397

SCHEMBL8049397

CCCc1nc([S+](C)[O-])c(C(=O)OCC)n1Cc1cc2c(cc1Cl)OCO2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 1/20 0.49
ALDH1A1 P00352 5/20 0.36
HPGD P15428 3/20 0.36
KDM4E B2RXH2 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HSD17B10 Q99714 3/20 0.36
AGTR1 P30556 2/20 0.36
AGTR2 P50052 2/20 0.36
ALOX15 P16050 2/20 0.36
MAPK1 P28482 1/20 0.36
CYP19A1 P11511 1/20 0.36
SIRT2 Q8IXJ6 2/20 0.35
SIRT1 Q96EB6 1/20 0.35
TP53 P04637 2/20 0.34
MAPT P10636 2/20 0.34
TSHR P16473 2/20 0.34
RAB9A P51151 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL3838855 0.89 EDNRA (0.59) EDNRAALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL8432726 0.87 EDNRA (0.54) EDNRAALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL8052641 0.85 EDNRA (0.54) EDNRAALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL8046894 0.83 EDNRA (0.57) EDNRAALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL8433056 0.83 EDNRA (0.53) EDNRAALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL8432727 0.82 EDNRA (0.58) EDNRAALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL8433007 0.80 EDNRA (0.49) EDNRAAGTR1AGTR2CYP19A1
SCHEMBL8432501 0.80 EDNRA (0.49) EDNRAALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL8433194 0.78 EDNRA (0.52) EDNRAALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL8045593 0.77 EDNRA (0.51) EDNRAALDH1A1HPGDKDM4ESMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6143774-A DRUGS AS HYPOTENSIVE AGENTS HOECHST MARION ROUSSEL (FR) 2000-11-07 US disclosed
US-5986103-A IMIDAZOLE SUBSTITUTED BENZENE AND REDUCTION OF ABNORMAL STIMULATION OF ENDOTHELIN RECEPTORS HOECHST MARION ROUSSEL (FR) 1999-11-16 US disclosed