SCHEMBL29954471

SCHEMBL29954471

CN(C)c1ccncc1C=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 6/20 0.37
CHRM5 P08912 1/20 0.37
CHKA P35790 1/20 0.37
CCNT1 O60563 1/20 0.35
CDK9 P50750 1/20 0.35
HASPIN Q8TF76 1/20 0.35
CYP2A6 P11509 3/20 0.33
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
ALOX15 P16050 1/20 0.33
CASP1 P29466 1/20 0.33
RAB9A P51151 1/20 0.33
HBB P68871 1/20 0.33
KMT2A Q03164 1/20 0.33
CHUK O15111 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
SCHEMBL7399490 1.00 ERN1 (0.37) ERN1CHRM5CHKACCNT1CDK9
SCHEMBL20614743 0.84 CHRM5 (0.37) ERN1CHRM5CHKACCNT1CDK9
SCHEMBL25024193 0.80 CHRM5 (0.37) CHRM5CHKAMAPTSMN1; SMN2MEN1
SCHEMBL6772213 0.80 CHRM5 (0.37) CHRM5CHKAMAPTSMN1; SMN2MEN1
SCHEMBL9000565 0.77 MAPT (0.35) CHRM5CHKAMAPTSMN1; SMN2MEN1
SCHEMBL16701005 0.73 CHRM5 (0.46) CHRM5CHKACDK9CYP2A6MAPT
SCHEMBL2600757 0.73 KMT2A (0.46) ERN1CCNT1CDK9HASPINCYP2A6
SCHEMBL29955436 0.73 KMT2A (0.46) ERN1CCNT1CDK9HASPINCYP2A6
SCHEMBL4065895 0.73 KDM4C (0.34) ERN1MAPTKDM4EALDH1A1GAA
SCHEMBL9938195 0.73 ERN1 (0.36) ERN1CCNT1CDK9HASPINMAPT

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed