SCHEMBL8433247

SCHEMBL8433247

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 3/20 0.39
EDNRA P25101 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
KMT2A Q03164 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
NPSR1 Q6W5P4 2/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
LMNA P02545 1/20 0.36
PKM P14618 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
GAA P10253 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
SCHEMBL7495951 0.92 EDNRA (0.46) BRS3EDNRASMN1; SMN2KDM4EALDH1A1
SCHEMBL8524654 0.91 SMN1; SMN2 (0.39) BRS3EDNRASMN1; SMN2KDM4EALDH1A1
SCHEMBL8329557 0.89 MEN1 (0.39) EDNRASMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL8431736 0.88 BRS3 (0.42) BRS3EDNRASMN1; SMN2KDM4EALDH1A1
SCHEMBL8431636 0.87 ALDH1A1 (0.40) BRS3EDNRASMN1; SMN2KDM4EALDH1A1
SCHEMBL8329904 0.87 PPARG (0.38) BRS3EDNRASMN1; SMN2KDM4EALDH1A1
SCHEMBL8431530 0.84 EDNRA (0.37) BRS3EDNRASMN1; SMN2KDM4EALDH1A1
SCHEMBL7506559 0.84 BRS3 (0.40) BRS3EDNRASMN1; SMN2KDM4EALDH1A1
SCHEMBL6579920 0.83 EDNRA (0.46) BRS3EDNRASMN1; SMN2KDM4EALDH1A1
SCHEMBL6582508 0.82 EDNRA (0.43) EDNRAALDH1A1KMT2AMEN1

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