SCHEMBL8052641

SCHEMBL8052641

CCCc1nc(S)c(C(=O)OCC)n1Cc1cc2c(cc1Cl)OCO2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 1/20 0.54
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 5/20 0.38
KDM4E B2RXH2 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
HPGD P15428 3/20 0.38
CYP19A1 P11511 1/20 0.38
SIRT2 Q8IXJ6 3/20 0.37
SIRT1 Q96EB6 2/20 0.37
HSD17B10 Q99714 3/20 0.36
TP53 P04637 2/20 0.36
ALOX15 P16050 2/20 0.36
AGTR1 P30556 1/20 0.36
AGTR2 P50052 1/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 2/20 0.36
MAPT P10636 2/20 0.36
TSHR P16473 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL8432501 0.94 EDNRA (0.49) EDNRAMEN1KMT2AALDH1A1KDM4E
SCHEMBL8432726 0.90 EDNRA (0.54) EDNRAMEN1KMT2AALDH1A1KDM4E
SCHEMBL3839122 0.88 EDNRA (0.65) EDNRAMEN1KMT2AALDH1A1KDM4E
SCHEMBL8046894 0.87 EDNRA (0.57) EDNRAMEN1KMT2AALDH1A1KDM4E
SCHEMBL8433056 0.87 EDNRA (0.53) EDNRAMEN1KMT2AALDH1A1KDM4E
SCHEMBL8432727 0.85 EDNRA (0.58) EDNRAALDH1A1KDM4ESMN1; SMN2HPGD
SCHEMBL8049397 0.85 EDNRA (0.49) EDNRAMEN1KMT2AALDH1A1KDM4E
SCHEMBL8433007 0.83 EDNRA (0.49) EDNRACYP19A1AGTR1AGTR2
SCHEMBL8035024 0.83 EDNRA (0.41) EDNRAMEN1KMT2AALDH1A1KDM4E
SCHEMBL7501847 0.82 EDNRA (0.58) EDNRAALDH1A1KDM4ESMN1; SMN2HPGD

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