SCHEMBL30836764

SCHEMBL30836764

COc1cnc(Cl)cc1C=O

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.52
KDM4E B2RXH2 2/20 0.52
TSHR P16473 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
ERN1 O75460 7/20 0.46
MAPT P10636 3/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
PRKDC P78527 2/20 0.43
LMNA P02545 2/20 0.42
HPGD P15428 2/20 0.42
SRC P12931 1/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
FGFR1 P11362 1/20 0.38
TUBB1 Q9H4B7 1/20 0.38
GAA P10253 1/20 0.38
GPR55 Q9Y2T6 1/20 0.38

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
SCHEMBL20424806 1.00 ALDH1A1 (0.52) ALDH1A1KDM4ETSHRTDP1ERN1
SCHEMBL19469960 0.85 ALDH1A1 (0.52) ALDH1A1KDM4ETSHRTDP1ERN1
SCHEMBL12689080 0.83 ALDH1A1 (0.38) ALDH1A1KDM4ETSHRTDP1ERN1
SCHEMBL27447388 0.79 ALDH1A1 (0.53) ALDH1A1KDM4ETSHRTDP1ERN1
SCHEMBL19795353 0.78 ALDH1A1 (0.33) ALDH1A1KDM4ETSHRTDP1ERN1
SCHEMBL15231440 0.78 ALDH1A1 (0.53) ALDH1A1KDM4ETSHRERN1MAPT
SCHEMBL15068289 0.78 ALDH1A1 (0.52) ALDH1A1KDM4ETSHRTDP1ERN1
SCHEMBL29951417 0.78 ALDH1A1 (0.52) ALDH1A1KDM4ETSHRTDP1ERN1
SCHEMBL18512252 0.78 ALDH1A1 (0.52) ALDH1A1KDM4ETSHRTDP1ERN1
SCHEMBL29411191 0.77 KMO (0.32) ALDH1A1KDM4ETSHRTDP1MAPT

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-2024069448-A1 SUBSTITUTED 1-ARYLAMINOCARBONYL-1'-HETEROARYL COMPOUNDS, SUBSTITUTED 1-HETEROARYLAMINOCARBONYL-1'-HETEROARYL COMPOUNDS AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2024-04-04 WO disclosed