SCHEMBL26988024

SCHEMBL26988024

CN(C)c1cc(C(F)(F)c2ccc(I)cc2)ccn1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PROKR1 Q8TCW9 1/20 0.35
IMPDH2 P12268 1/20 0.33
APP P05067 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
HIF1A Q16665 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
NOS3 P29474 1/20 0.32
NOS2 P35228 1/20 0.32
POLQ O75417 1/20 0.32
EED O75530 1/20 0.31
MDM2 Q00987 1/20 0.31
IGF1R P08069 1/20 0.31
DYRK1A Q13627 1/20 0.31
ADORA2A P29274 1/20 0.30
ADORA1 P30542 1/20 0.30

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
SCHEMBL26988756 0.83 POLQ (0.35) PROKR1IMPDH2POLQ
SCHEMBL1344896 0.78 NOS3 (0.52) PROKR1CYP1A2CYP3A4ALOX15TSHR
SCHEMBL19192034 0.76 CYP1A2 (0.41) PROKR1IMPDH2CYP1A2CYP3A4ALOX15
SCHEMBL803102 0.72 CYP1A2 (0.40) PROKR1IMPDH2CYP1A2CYP3A4ALOX15
SCHEMBL5700095 0.72 EED (0.39) PROKR1APPCYP1A2CYP3A4HSD17B10
SCHEMBL3677277 0.71 TRPV1 (0.41) APPTSHR
SCHEMBL26988715 0.69 MAPT (0.42) PROKR1MAPK1
SCHEMBL20987610 0.68 CNR2 (0.33) IMPDH2MAPK1EEDDYRK1AADORA2A
SCHEMBL3216629 0.65 NOS3 (0.53) CYP1A2CYP3A4ALOX15TSHRMAPK1
SCHEMBL19135622 0.64 CNR2 (0.46)

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-2024008909-A1 INHIBITORS OF CORONAVIRUS JANSSEN PHARMACEUTICA NV (BE) 2024-01-11 WO disclosed