SCHEMBL29520449

SCHEMBL29520449

COc1cc2c(cc1[N+](=O)[O-])CCNC2=O

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
GRM5 P41594 2/20 0.43
PARP10 Q53GL7 6/20 0.43
PARP1 P09874 4/20 0.43
PARP11 Q9NR21 2/20 0.43
KDM4E B2RXH2 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 2/20 0.40
MAPT P10636 1/20 0.40
CHEK1 O14757 2/20 0.40
F7 P08709 1/20 0.40
F3 P13726 1/20 0.40
SIRT6 Q8N6T7 1/20 0.39
LMNA P02545 1/20 0.38

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
SCHEMBL29037818 1.00 MEN1 (0.48) MEN1KMT2AGRM5PARP10PARP1
SCHEMBL2205282 0.94 MEN1 (0.48) MEN1KMT2AGRM5PARP10PARP1
SCHEMBL30707511 0.86 TDP1 (0.43) MEN1KMT2AKDM4ETDP1ALDH1A1
SCHEMBL30882012 0.82 PARP10 (0.53) MEN1KMT2AGRM5PARP10PARP1
SCHEMBL4715588 0.82 PARP10 (0.53) MEN1KMT2AGRM5PARP10PARP1
SCHEMBL29581365 0.81 ALDH1A1 (0.57) MEN1KMT2AKDM4ETDP1ALDH1A1
SCHEMBL2205220 0.81 ALDH1A1 (0.57) MEN1KMT2AKDM4ETDP1ALDH1A1
SCHEMBL31510285 0.80 PARP10 (0.40) MEN1KMT2APARP10PARP1PARP11
SCHEMBL6113951 0.80 TDP1 (0.43) MEN1KMT2AKDM4ETDP1ALDH1A1
SCHEMBL7000772 0.80 TDP1 (0.44) MEN1KMT2AKDM4ETDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4605392-A1 METHODS FOR TREATING CANCER Antares Therapeutics, Inc. (US) 2025-08-27 EP disclosed
WO-2024086809-A1 METHODS FOR TREATING CANCER SCORPION THERAPEUTICS, INC. (US) 2024-04-25 WO disclosed
CN-116456985-A Pyrimidine and pyridine derivatives as HPK1 modulators and methods of use thereof 深圳市原力生命科学有限公司 2023-07-18 CN disclosed
WO-2022063140-A1 PYRIMIDINE AND PYRIDINE DERIVATIVES AS HPK1 MODULATOR AND METHODS USING SAME SHENZHEN IONOVA LIFE SCIENCE CO., LTD. (CN) 2022-03-31 WO disclosed