SCHEMBL20855412

SCHEMBL20855412

COCC(N)c1cc(Cl)ccc1OC

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 2/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ADRA2A P08913 2/20 0.38
ADRA1A P35348 2/20 0.38
LMNA P02545 4/20 0.38
HTR3E A5X5Y0 1/20 0.38
HTR3B O95264 1/20 0.38
HTR3A P46098 1/20 0.38
HTR3D Q70Z44 1/20 0.38
HTR3C Q8WXA8 1/20 0.38
TTR P02766 1/20 0.38
ALDH1A1 P00352 3/20 0.38
HTT P42858 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CYP2D6 P10635 1/20 0.37
KDM4E B2RXH2 1/20 0.37
TP53 P04637 1/20 0.37
TRPV4 Q9HBA0 1/20 0.37

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
SCHEMBL20855410 1.00 SCN4A (0.42) SCN4AMEN1KMT2AADRA2AADRA1A
SCHEMBL20869166 0.83 MEN1 (0.43) SCN4AMEN1KMT2AADRA2AADRA1A
SCHEMBL20868718 0.81 LMNA (0.42) MEN1KMT2ALMNATTRALDH1A1
SCHEMBL20855752 0.80 USP2 (0.41) MEN1KMT2AADRA2AADRA1ACYP2D6
SCHEMBL20855556 0.80 KDM4E (0.43) ADRA2AADRA1ALMNAALDH1A1HTT
SCHEMBL20868996 0.79 LMNA (0.55) MEN1KMT2AADRA2AADRA1ALMNA
SCHEMBL1748248 0.79 LMNA (0.55) MEN1KMT2AADRA2AADRA1ALMNA
SCHEMBL30963569 0.77 CA1 (0.46) SCN4ALMNAALDH1A1HTTNPSR1
SCHEMBL84489 0.74 LPAR1 (0.50) MEN1KMT2AHTR3EHTR3BHTR3A
SCHEMBL8782180 0.73 ADRA2A (0.69) MEN1KMT2AADRA2AADRA1ALMNA

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