SCHEMBL20855486

SCHEMBL20855486

COc1ccc(Br)cc1[C@H](C)N

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.49
ADRA2A P08913 1/20 0.49
ADRA1A P35348 1/20 0.49
MEN1 O00255 1/20 0.47
MAPK1 P28482 1/20 0.47
BLM P54132 1/20 0.47
KMT2A Q03164 1/20 0.47
KDM4E B2RXH2 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 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
SCHEMBL143912 1.00 CYP2D6 (0.49) CYP2D6ADRA2AADRA1AMEN1MAPK1
Hydrochloric Acid SCHEMBL20855876 0.98 MEN1 (0.50) CYP2D6ADRA2AADRA1AMEN1MAPK1
Hydrochloric Acid SCHEMBL3538526 0.98 MEN1 (0.50) CYP2D6ADRA2AADRA1AMEN1MAPK1
SCHEMBL30178974 0.85 KDM4E (0.41) CYP2D6ADRA2AADRA1AKDM4ETDP1
SCHEMBL4974576 0.85 KDM4E (0.41) CYP2D6ADRA2AADRA1AKDM4ETDP1
SCHEMBL21673459 0.85 KDM4E (0.41) CYP2D6ADRA2AADRA1AKDM4ETDP1
SCHEMBL3917312 0.84 LPAR1 (0.49) CYP2D6KDM4ETDP1LMNA
SCHEMBL27885171 0.82 LMNA (0.42) CYP2D6ADRA2AADRA1AMAPK1KDM4E
SCHEMBL20855649 0.81 TSHR (0.47) MEN1MAPK1KMT2AKDM4ELMNA
SCHEMBL20855651 0.81 TSHR (0.47) MEN1MAPK1KMT2AKDM4ELMNA

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