SCHEMBL7265752

SCHEMBL7265752

Brc1cccc(Oc2ccccc2)c1.[MgH2]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.55
LTA4H P09960 1/20 0.55
TSHR P16473 1/20 0.55
PGR P06401 1/20 0.50
ABCG2 Q9UNQ0 1/20 0.49
EGFR P00533 1/20 0.49
AKR1C3 P42330 1/20 0.48
KMT2A Q03164 2/20 0.47
HDAC8 Q9BY41 1/20 0.47
FNTA P49354 1/20 0.46
FNTB P49356 1/20 0.46
MAPT P10636 2/20 0.46
CHEK1 O14757 1/20 0.46
KDR P35968 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
CASP3 P42574 1/20 0.46
HTT P42858 1/20 0.46
SENP7 Q9BQF6 1/20 0.46

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
SCHEMBL30020579 0.98 LTA4H (0.57) MAOBLTA4HTSHRPGRABCG2
SCHEMBL5434 0.98 LTA4H (0.57) MAOBLTA4HTSHRPGRABCG2
SCHEMBL9817938 0.95 MAOB (0.55) MAOBLTA4HTSHRPGRABCG2
SCHEMBL3839157 0.91 ALDH1A1 (0.54) MAOBLTA4HTSHRPGREGFR
SCHEMBL3838974 0.91 ALDH1A1 (0.54) MAOBLTA4HTSHRPGREGFR
SCHEMBL457828 0.91 MAOB (0.54) MAOBPGRABCG2EGFRKMT2A
SCHEMBL3838956 0.88 SMN1; SMN2 (0.58) MAOBLTA4HTSHRPGREGFR
SCHEMBL3842164 0.88 MAOB (0.52) MAOBABCG2EGFRKMT2AMAPT
SCHEMBL3840708 0.86 MAOB (0.55) MAOBLTA4HTSHRPGREGFR
SCHEMBL30633275 0.86 MAOB (0.55) MAOBLTA4HTSHRPGREGFR

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
WO-2003068738-A1 PYRROLE DERIVATIVES AS LIGANDS OF MELANOCORTIN RECEPTORS NEUROCRINE BIOSCIENCES, INC. (US) 2003-08-21 WO disclosed