SCHEMBL20869166

SCHEMBL20869166

COc1ccc(Cl)cc1[C@@H](N)CO

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
ADRA2A P08913 2/20 0.41
ADRA1A P35348 2/20 0.41
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
HTR3A P46098 1/20 0.41
HTR3D Q70Z44 1/20 0.41
HTR3C Q8WXA8 1/20 0.41
LMNA P02545 1/20 0.41
PDCD1LG2 Q9BQ51 1/20 0.41
CD274 Q9NZQ7 1/20 0.41
CYP2D6 P10635 1/20 0.41
ALDH1A1 P00352 2/20 0.40
POLB P06746 1/20 0.40
MAPK1 P28482 1/20 0.40
BLM P54132 1/20 0.40
SCN4A P35499 1/20 0.39
THRB P10828 1/20 0.39
RORC P51449 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
SCHEMBL20855412 0.83 SCN4A (0.42) MEN1KMT2AADRA2AADRA1AHTR3E
SCHEMBL20855410 0.83 SCN4A (0.42) MEN1KMT2AADRA2AADRA1AHTR3E
SCHEMBL20868717 0.81 ALDH1A1 (0.44) MEN1KMT2AADRA2AADRA1ALMNA
SCHEMBL1661357 0.81 ADRA1A (0.63) MEN1KMT2AADRA2AADRA1ALMNA
SCHEMBL16959649 0.80 MEN1 (0.43) MEN1KMT2AADRA2AADRA1AHTR3E
SCHEMBL1748248 0.79 LMNA (0.55) MEN1KMT2AADRA2AADRA1AHTR3E
SCHEMBL20868996 0.79 LMNA (0.55) MEN1KMT2AADRA2AADRA1AHTR3E
SCHEMBL15797722 0.77 AGTR1 (0.49) LMNAPDCD1LG2CD274ALDH1A1POLB
SCHEMBL21136940 0.77 MEN1 (0.45) MEN1KMT2AADRA2AADRA1AHTR3E
SCHEMBL1439383 0.77 AGTR1 (0.49) LMNAPDCD1LG2CD274ALDH1A1POLB

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