SCHEMBL28239129

SCHEMBL28239129

OCCc1ccc2c(c1)CNC2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
ALOX5 P09917 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
BACE1 P56817 1/20 0.45
PLAU P00749 1/20 0.42
CA2 P00918 2/20 0.40
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
HTR6 P50406 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
PDK2 Q15119 1/20 0.35
ITGB3 P05106 2/20 0.34
ITGA2B P08514 2/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33

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
SCHEMBL31514914 0.83 HTR2A (0.40) PLAUDRD2DRD3HTR6ITGB3
SCHEMBL1206291 0.83 HTR2A (0.40) PLAUDRD2DRD3HTR6ITGB3
Hydrochloric Acid SCHEMBL3710885 0.82 HTR2A (0.39) PLAUDRD2DRD3HTR6ITGB3
SCHEMBL21335649 0.80 DRD2 (0.47) PLAUDRD2DRD3HTR6
Bromide SCHEMBL9757324 0.75 CAPN1 (0.44) ALDH1A1PLAUDRD2DRD3HTR6
SCHEMBL8179926 0.75 DRD2 (0.42) DRD2DRD3HTR6
SCHEMBL28959626 0.75 PLAU (0.38) GAAPLAUDRD2DRD3HTR6
SCHEMBL8853672 0.75 ALDH1A1 (0.48) KDM4EALDH1A1ALOX5GAAMAPT
SCHEMBL7998432 0.73 ALDH1A1 (0.47) KDM4EALDH1A1ALOX5GAAMAPT
SCHEMBL9326541 0.73 KDM4E (0.49) KDM4EALDH1A1GAAMAPTCA2

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
CN-108430515-A Include the antibody conjugates of TOLL- sample receptor stimulating agents 诺华股份有限公司 2018-08-21 CN disclosed