SCHEMBL13190702

SCHEMBL13190702

BCc1c([N+](=O)[O-])nc(O)n1C

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.32
KMT2A Q03164 2/20 0.32
ATM Q13315 2/20 0.32
KDM4E B2RXH2 1/20 0.32
CYP2C19 P33261 1/20 0.31
MAPT P10636 3/20 0.31
HTT P42858 2/20 0.31
LMNA P02545 1/20 0.31
BLM P54132 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
GAA P10253 2/20 0.31
POLB P06746 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL13190833 0.76
SCHEMBL10102740 0.67 ALDH1A1 (0.44) ALDH1A1KMT2AATMMAPTHTT
SCHEMBL10102722 0.66 MAPT (0.36) ALDH1A1KMT2AATMKDM4ECYP2C19
SCHEMBL11902276 0.65 MAPT (0.36) ALDH1A1KMT2AATMCYP2C19MAPT
SCHEMBL10102780 0.64 ALDH1A1 (0.39) ALDH1A1KMT2AATMKDM4ECYP2C19
SCHEMBL11864925 0.63 ATM (0.36) ALDH1A1KMT2AATMKDM4ECYP2C19
SCHEMBL10102723 0.63 ATM (0.33) ALDH1A1KMT2AATMKDM4ECYP2C19
SCHEMBL10102711 0.63 ALDH1A1 (0.44) ALDH1A1KMT2AATMKDM4EMAPT
SCHEMBL10102725 0.63 GAA (0.34) ALDH1A1KMT2AKDM4EMAPTHTT
SCHEMBL867642 0.63 KMT2A (0.41) ALDH1A1KMT2AMAPTHTTLMNA

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-2010104406-A1 PRODRUG FORMS OF KINASE INHIBITORS AND THEIR USE IN THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2010-09-16 WO disclosed