SCHEMBL21574682

SCHEMBL21574682

C=C(CC)C(=Cc1ccc(-n2cccn2)cc1)C(=C)CC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 2/20 0.51
MAPK1 P28482 1/20 0.51
CHRNA7 P36544 1/20 0.45
CHRNA10 Q9GZZ6 1/20 0.45
CHRNA9 Q9UGM1 1/20 0.45
NOTUM Q6P988 1/20 0.44
MAPT P10636 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HSP90AA1 P07900 1/20 0.39
HTT P42858 1/20 0.39
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
DRD3 P35462 1/20 0.39
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
MITF O75030 1/20 0.36
PKM P14618 1/20 0.36
TP53 P04637 2/20 0.36
MGLL Q99685 1/20 0.35

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
SCHEMBL16632856 0.78 KDM4E (0.49) KDM4EALDH1A1MAPK1NOTUMMAPT
SCHEMBL16632854 0.78 KDM4E (0.49) KDM4EALDH1A1MAPK1NOTUMMAPT
SCHEMBL6851730 0.75 KDM4E (0.58) KDM4EALDH1A1MAPK1CHRNA7CHRNA10
SCHEMBL6876917 0.75 KDM4E (0.58) KDM4EALDH1A1MAPK1CHRNA7CHRNA10
SCHEMBL6852339 0.72 KDM4E (0.55) KDM4EALDH1A1MAPK1CHRNA7CHRNA10
SCHEMBL6852332 0.72 KDM4E (0.55) KDM4EALDH1A1MAPK1CHRNA7CHRNA10
SCHEMBL6852346 0.72 KDM4E (0.55) KDM4EALDH1A1MAPK1CHRNA7CHRNA10
SCHEMBL13221930 0.72 ALDH1A1 (0.68) KDM4EALDH1A1MAPK1CHRNA7CHRNA10
SCHEMBL10653293 0.71 KDM4E (0.72) KDM4EALDH1A1MAPK1CHRNA7CHRNA10
SCHEMBL11410050 0.71 KDM4E (0.72) KDM4EALDH1A1MAPK1CHRNA7CHRNA10

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
EP-3057951-B1 METHYLENE LINKED QUINOLINYL MODULATORS OF ROR-GAMMA-T JANSSEN PHARMACEUTICA NV (BE) 2019-11-20 EP disclosed