SCHEMBL20855720

SCHEMBL20855720

C[C@H](N)c1cc(Br)ccc1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 4/20 0.46
GABRA1 P14867 1/20 0.43
GABRB1 P18505 1/20 0.43
HPGD P15428 4/20 0.43
MAPT P10636 6/20 0.41
KDM4E B2RXH2 5/20 0.41
TDP1 Q9NUW8 5/20 0.41
KMT2A Q03164 5/20 0.41
RECQL P46063 4/20 0.41
LMNA P02545 3/20 0.41
POLB P06746 3/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
THPO P40225 1/20 0.41
HIF1A Q16665 1/20 0.41
HSD17B10 Q99714 1/20 0.41
APEX1 P27695 1/20 0.41
MTOR P42345 1/20 0.41
BLM P54132 1/20 0.41
CES2 O00748 1/20 0.41

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
SCHEMBL20855723 1.00 ALOX15 (0.46) ALOX15GABRA1GABRB1HPGDMAPT
Hydrochloric Acid SCHEMBL31733717 0.98 ALOX15 (0.45) ALOX15GABRA1GABRB1HPGDMAPT
SCHEMBL24838388 0.83 ALOX15 (0.41) ALOX15GABRA1GABRB1HPGDMAPT
SCHEMBL282835 0.83 GABRA1 (0.58) ALOX15GABRA1GABRB1HPGDMAPT
SCHEMBL31182212 0.83 GABRA1 (0.58) ALOX15GABRA1GABRB1HPGDMAPT
SCHEMBL2984801 0.81 ALOX15 (0.48) ALOX15GABRA1GABRB1HPGDMAPT
SCHEMBL6273718 0.79 ALOX15 (0.46) ALOX15GABRA1GABRB1HPGDMAPT
SCHEMBL22499940 0.78 TDP1 (0.53) ALOX15GABRA1HPGDMAPTKDM4E
SCHEMBL4368200 0.78 LMNA (0.45) ALOX15GABRA1MAPTKDM4ETDP1
SCHEMBL31485748 0.78 LMNA (0.45) ALOX15GABRA1MAPTKDM4ETDP1

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
WO-2019063748-A1 ROR-GAMMA INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-04-04 WO disclosed
WO-2019063748-A1 ROR-GAMMA INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-04-04 WO disclosed