SCHEMBL10614865

SCHEMBL10614865

O=[N+]([O-])c1ncn(CCO)c1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.48
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 5/20 0.41
LMNA P02545 4/20 0.41
MAPT P10636 2/20 0.41
THRB P10828 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
BLM P54132 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GAA P10253 2/20 0.40
CYP2C19 P33261 1/20 0.40
ERO1A Q96HE7 1/20 0.40
ADORA2B P29275 1/20 0.36
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL31589446 0.81 ATM (0.47) ATMKDM4EALDH1A1LMNAMAPT
SCHEMBL5367724 0.72 KDM4E (0.63) ATMKDM4EALDH1A1LMNAMAPT
SCHEMBL29101968 0.70 KDM4E (0.46) ATMKDM4EALDH1A1LMNAMAPT
SCHEMBL14714247 0.67 KDM4E (0.43) ATMKDM4EALDH1A1LMNAMAPT
SCHEMBL920293 0.67 LMNA (0.60) ATMALDH1A1LMNATHRBTSHR
SCHEMBL7557473 0.67 ATM (0.56) ATMKDM4EALDH1A1LMNAMAPT
SCHEMBL5878432 0.67 LMNA (0.49) ATMALDH1A1LMNAMAPTTHRB
SCHEMBL14696790 0.67 KDM4E (0.47) ATMKDM4EALDH1A1LMNAMAPT
SCHEMBL10102699 0.66 LMNA (0.44) ATMKDM4EALDH1A1LMNAMAPT
SCHEMBL7034458 0.66 PKM (0.68) ATMKDM4EALDH1A1LMNAMAPT

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
JP-63310873-A None JP disclosed
JP-S63310873-A 4,5-DINITROIMIDAZOLE DERIVATIVE TAIHO YAKUHIN KOGYO KK 1988-12-19 JP disclosed