SCHEMBL29818474

SCHEMBL29818474

CN(C)c1ccnc(N)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 4/20 0.52
NOS2 P35228 4/20 0.52
NOS1 P29475 3/20 0.52
KDM4E B2RXH2 2/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
ALDH1A1 P00352 3/20 0.50
CHRM5 P08912 1/20 0.46
CHKA P35790 1/20 0.46
ALOX15 P16050 2/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
GABRP O00591 2/20 0.41
GABRD O14764 2/20 0.41
GABRA1 P14867 2/20 0.41
GABRB1 P18505 2/20 0.41
GABRG2 P18507 2/20 0.41
GABRB3 P28472 2/20 0.41

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
SCHEMBL1099323 1.00 NOS3 (0.52) NOS3NOS2NOS1KDM4EMEN1
Bicarbonate SCHEMBL5997835 0.90 KDM4E (0.61) NOS3NOS2NOS1KDM4EMEN1
SCHEMBL4665680 0.78 NOS3 (0.44) NOS3NOS2NOS1KDM4EMEN1
SCHEMBL2235251 0.77 NOS3 (0.52) NOS3NOS2NOS1KDM4EMEN1
2-Aminopyridine SCHEMBL9487893 0.77 NOS3 (0.52) NOS3NOS2NOS1KDM4EMEN1
SCHEMBL196641 0.76 ALDH1A1 (0.53) KDM4EMEN1KMT2AALDH1A1CHRM5
SCHEMBL16212184 0.75 NOS2 (0.42) NOS3NOS2NOS1KDM4EMEN1
SCHEMBL1857798 0.74 UHRF1 (0.52) KDM4EALDH1A1CHRM5CHKAALOX15
SCHEMBL30002302 0.74 UHRF1 (0.52) KDM4EALDH1A1CHRM5CHKAALOX15
SCHEMBL18221640 0.74 ALDH1A1 (0.52) KDM4EMEN1KMT2AALDH1A1CHRM5

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-2022163609-A1 RESIN COMPOSITION, METAL FOIL WITH RESIN, CURED PRODUCT, METAL BASE SUBSTRATE, AND ELECTRONIC PARTS 太陽インキ製造株式会社 2022-08-04 WO disclosed