SCHEMBL7265757

SCHEMBL7265757

Br[Mg]c1cccc(Oc2ccccc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.50
MAOB P27338 2/20 0.50
TSHR P16473 1/20 0.50
AKR1C3 P42330 1/20 0.46
MEN1 O00255 1/20 0.42
MITF O75030 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
GFER P55789 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NLRP1 Q9C000 1/20 0.42
NOD2 Q9HC29 1/20 0.42
HDAC8 Q9BY41 1/20 0.41
MAOA P21397 2/20 0.40
NR1H2 P55055 1/20 0.40
BAX Q07812 1/20 0.40
PTGS1 P23219 1/20 0.40
FURIN P09958 1/20 0.39

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
SCHEMBL3458231 0.85 ALDH1A1 (0.41) LTA4HMAOBTSHRMEN1MITF
SCHEMBL381634 0.80 LTA4H (0.57) LTA4HMAOBTSHRMEN1KMT2A
SCHEMBL29411044 0.77 ACHE (0.50) MAOBALDH1A1SMN1; SMN2
SCHEMBL24031 0.77 ACHE (0.50) MAOBALDH1A1SMN1; SMN2
SCHEMBL22559 0.77 LTA4H (0.75) LTA4HMAOBTSHRAKR1C3MEN1
SCHEMBL1173711 0.77 LTA4H (0.75) LTA4HMAOBTSHRAKR1C3MEN1
SCHEMBL30018242 0.77 LTA4H (0.75) LTA4HMAOBTSHRAKR1C3MEN1
SCHEMBL4025817 0.77 LTA4H (0.75) LTA4HMAOBTSHRAKR1C3MEN1
SCHEMBL30211827 0.77 LTA4H (0.75) LTA4HMAOBTSHRAKR1C3MEN1
SCHEMBL1173869 0.77 LTA4H (0.75) LTA4HMAOBTSHRAKR1C3MEN1

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