SCHEMBL24127361

SCHEMBL24127361

COCCOc1ccnc(C)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.49
MAOA P21397 1/20 0.49
UHRF1 Q96T88 1/20 0.43
ALDH1A1 P00352 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
HSD17B10 Q99714 1/20 0.42
BRD4 O60885 1/20 0.40
CCL2 P13500 1/20 0.40
CCR1 P32246 1/20 0.39
CCR5 P51681 1/20 0.39
CCR8 P51685 1/20 0.39
TSHR P16473 1/20 0.39
NOS2 P35228 3/20 0.37
NOS3 P29474 2/20 0.37
NOS1 P29475 2/20 0.37
GRM4 Q14833 1/20 0.37
SLC22A12 Q96S37 1/20 0.37
APP P05067 1/20 0.37
PDE2A O00408 1/20 0.36

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
SCHEMBL27582274 0.91 DYRK1A (0.43) DYRK1AMAOAUHRF1ALDH1A1CASP1
Hydrochloric Acid SCHEMBL28096734 0.89 DYRK1A (0.42) DYRK1AMAOAUHRF1ALDH1A1CASP1
SCHEMBL17918921 0.82 UHRF1 (0.45) DYRK1AMAOAUHRF1ALDH1A1CASP1
SCHEMBL15223391 0.82 CCR1 (0.61) DYRK1AMAOACCR1CCR5CCR8
SCHEMBL26944233 0.81 UHRF1 (0.43) DYRK1AUHRF1ALDH1A1CASP1CASP7
SCHEMBL729149 0.79 MAOA (0.44) DYRK1AMAOACCR1CCR5CCR8
SCHEMBL731492 0.79 NOS3 (0.63) DYRK1AMAOACCR1CCR5CCR8
SCHEMBL31543475 0.79 MAOA (0.44) DYRK1AMAOACCR1CCR5CCR8
SCHEMBL25308169 0.79 MAOA (0.44) DYRK1AMAOACCR1CCR5CCR8
SCHEMBL29615484 0.79 NOS3 (0.63) DYRK1AMAOACCR1CCR5CCR8

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-2021253098-A1 AMIDO COMPOUNDS Anaxis Pharma Pty Ltd (AU) 2021-12-23 WO disclosed