SCHEMBL8329904

SCHEMBL8329904

COC(=O)c1c(Sc2ccc(OC)cc2)nc(C(=O)c2ccccc2)n1Cc1cc2c(cc1Cl)OCO2

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.38
EDNRA P25101 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TP53 P04637 3/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
EDNRB P24530 3/20 0.36
BRS3 P32247 1/20 0.36
MAPT P10636 2/20 0.36
POLB P06746 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
SCHEMBL6582430 0.94 EDNRA (0.43) PPARGEDNRASMN1; SMN2ALDH1A1EDNRB
SCHEMBL8329557 0.88 MEN1 (0.39) EDNRASMN1; SMN2TP53KDM4EALDH1A1
SCHEMBL8433247 0.87 BRS3 (0.39) EDNRASMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL8524654 0.87 SMN1; SMN2 (0.39) EDNRASMN1; SMN2TP53KDM4EALDH1A1
SCHEMBL8431530 0.85 EDNRA (0.37) EDNRASMN1; SMN2TP53KDM4EALDH1A1
SCHEMBL8431525 0.84 EDNRA (0.41) EDNRASMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL8431636 0.82 ALDH1A1 (0.40) EDNRASMN1; SMN2TP53KDM4EALDH1A1
SCHEMBL6580198 0.82 EDNRA (0.44) EDNRASMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL6582508 0.81 EDNRA (0.43) EDNRAALDH1A1EDNRB
SCHEMBL6579920 0.81 EDNRA (0.46) EDNRASMN1; SMN2KDM4EALDH1A1HPGD

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-5932741-A TREATING ILLNESSES RESULTING FROM ABNORMAL STIMULATION OF ENDOTHELIN RECEPTORS HOECHST MARION ROUSSEL (FR) 1999-08-03 US disclosed
US-5856509-A HYPOTENSIVE AGENTS ROUSSEL UCLAF (FR) 1999-01-05 US disclosed
US-5811444-A IMIDAZOLE DERIVATIVES ROUSSEL UCLAF (FR) 1998-09-22 US disclosed