SCHEMBL24201682

SCHEMBL24201682

CC(C)(P)c1ccc2c(c1)CCN2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.50
DRD4 P21917 1/20 0.50
GAA P10253 2/20 0.41
S1PR1 P21453 1/20 0.37
KDM4E B2RXH2 2/20 0.36
MAPT P10636 2/20 0.36
ALDH1A1 P00352 2/20 0.36
ALOX15 P16050 2/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
THRB P10828 1/20 0.36
CASP1 P29466 1/20 0.36
HTT P42858 1/20 0.36
CASP7 P55210 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PARP1 P09874 1/20 0.35
PARP10 Q53GL7 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 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
SCHEMBL10100725 0.85 DRD2 (0.53) DRD2DRD4GAAS1PR1KDM4E
SCHEMBL5958650 0.80 DRD2 (0.52) DRD2DRD4GAAS1PR1KDM4E
SCHEMBL20747804 0.79 DRD2 (0.47) DRD2DRD4GAAS1PR1KDM4E
SCHEMBL4991137 0.78 PARP10 (0.56) DRD2DRD4GAAS1PR1PARP1
SCHEMBL761229 0.75 GAA (0.53) DRD2DRD4GAAKDM4EMAPT
SCHEMBL19185633 0.74 GAA (0.49) DRD2DRD4GAAKDM4EMAPT
SCHEMBL11358716 0.72 DRD2 (0.51) DRD2DRD4GAAS1PR1KDM4E
SCHEMBL24347717 0.72 GAA (0.51) DRD2DRD4GAAKDM4EMAPT
SCHEMBL11350954 0.71 DRD2 (0.50) DRD2DRD4GAAS1PR1KDM4E
SCHEMBL12461 0.71 DRD2 (0.59) DRD2DRD4GAAKDM4EMAPT

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-3939981-A1 FUSED THIAZOLOPYRIMIDINE DERIVATIVES AS MNKS INHIBITORS LifeArc (GB) 2022-01-19 EP disclosed