SCHEMBL31437059

SCHEMBL31437059

CC(C)(C)OC(=O)N1CCNCC1c1ccc([N+](=O)[O-])c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.38
MAPT P10636 5/20 0.36
ALDH1A1 P00352 4/20 0.36
LMNA P02545 3/20 0.36
MC4R P32245 1/20 0.36
MC5R P33032 1/20 0.36
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
PRKCQ Q04759 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
NR1H2 P55055 4/20 0.34
NR1H3 Q13133 4/20 0.34
TACR1 P25103 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
DPP4 P27487 1/20 0.34
DPP7 Q9UHL4 1/20 0.34
ATM Q13315 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL5188507 0.84 MAPT (0.38) PARP1MAPTALDH1A1LMNAMC4R
SCHEMBL30110406 0.84 PARP1 (0.47) PARP1MAPTALDH1A1LMNAMC4R
SCHEMBL30165832 0.84 ALDH1A1 (0.50) PARP1MAPTALDH1A1LMNANR1H2
SCHEMBL31331999 0.84 MAPT (0.40) PARP1MAPTALDH1A1LMNANPSR1
SCHEMBL30080845 0.80 NR1H2 (0.45) PARP1MC4RMC5RNR1H2NR1H3
SCHEMBL30979323 0.80 GPR119 (0.46) PARP1NR1H2NR1H3
SCHEMBL30910354 0.80 ALDH1A1 (0.39) PARP1MAPTALDH1A1LMNAMC4R
SCHEMBL3697218 0.80 DPP4 (0.47) PARP1MC4RMC5RNR1H2NR1H3
SCHEMBL25913721 0.80 DPP4 (0.47) PARP1MC4RMC5RNR1H2NR1H3
SCHEMBL29351957 0.80 PARP1 (0.39) PARP1MAPTALDH1A1LMNAMC4R

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119630644-A Bifunctional compounds containing pyrimidine derivatives for degradation of cyclin-dependent kinase 2 via the ubiquitin proteasome pathway 霖康疗法公司 2025-03-14 CN disclosed
CN-119630651-A Bifunctional compounds containing substituted pyrimidine derivatives for degradation of cyclin-dependent kinase 2 via the ubiquitin proteasome pathway 霖康疗法公司 2025-03-14 CN disclosed