SCHEMBL29519656

SCHEMBL29519656

CCOC(=O)/C(C#N)=C(/C)Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.55
LMNA P02545 4/20 0.47
ALDH1A1 P00352 4/20 0.46
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 2/20 0.46
KCNJ1 P48048 1/20 0.42
KCNH2 Q12809 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
GAA P10253 1/20 0.40
RAB9A P51151 1/20 0.40
GLO1 Q04760 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL29015219 1.00 MAPT (0.55) MAPTLMNAALDH1A1KMT2AKDM4E
SCHEMBL30401215 0.83 CYP1A2 (0.51) MAPTALDH1A1KMT2AKDM4ESMN1; SMN2
SCHEMBL29880371 0.83 CYP1A2 (0.51) MAPTALDH1A1KMT2AKDM4ESMN1; SMN2
SCHEMBL23747775 0.82 MAPT (0.64) MAPTLMNAALDH1A1KMT2AKDM4E
SCHEMBL10271717 0.81 KMT2A (0.47) MAPTLMNAALDH1A1KMT2AKDM4E
SCHEMBL6805105 0.81 HTT (0.44) LMNAALDH1A1KMT2AKDM4ESMN1; SMN2
SCHEMBL6805108 0.81 HTT (0.44) LMNAALDH1A1KMT2AKDM4ESMN1; SMN2
SCHEMBL161867 0.80 LMNA (0.56) MAPTLMNAALDH1A1KMT2AKCNJ1
SCHEMBL26188701 0.79 MAPT (0.62) MAPTLMNAALDH1A1KMT2AKDM4E
SCHEMBL28811683 0.77 MAPT (0.63) MAPTLMNAALDH1A1KMT2AKDM4E

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-2022067566-A1 PYRIMIDINEDIONE COMPOUND CONTAINING SATURATED OXYGEN-CONTAINING HETEROCYCLIC GROUP AND USE THEREOF 广东东阳光药业有限公司 2022-04-07 WO disclosed