SCHEMBL22497568

SCHEMBL22497568

COC(=O)/C=C/c1cc2c(-c3ccncc3)nn(CC(c3ccccc3)(c3ccccc3)c3ccccc3)c2cc1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.37
MAPT P10636 3/20 0.36
POLB P06746 2/20 0.36
GLA P06280 1/20 0.36
RECQL P46063 1/20 0.36
ATM Q13315 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HPGD P15428 2/20 0.35
GAA P10253 1/20 0.35
CCNC P24863 1/20 0.35
CDK8 P49336 1/20 0.35
KMT2A Q03164 3/20 0.34
LMNA P02545 2/20 0.34
KDM4E B2RXH2 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
STAT3 P40763 1/20 0.34
MEN1 O00255 1/20 0.34
RAB9A P51151 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
SCHEMBL22497569 1.00 ALDH1A1 (0.37) ALDH1A1MAPTPOLBGLARECQL
SCHEMBL22497620 0.91 MAPT (0.39) ALDH1A1MAPTPOLBGLARECQL
SCHEMBL22497621 0.91 MAPT (0.39) ALDH1A1MAPTPOLBGLARECQL
SCHEMBL22284166 0.86 POLB (0.39) ALDH1A1MAPTPOLBGLARECQL
SCHEMBL20916968 0.86 POLB (0.39) ALDH1A1MAPTPOLBGLARECQL
SCHEMBL17567301 0.77 POLB (0.39) ALDH1A1MAPTPOLBGLARECQL
SCHEMBL20916815 0.76 MAPT (0.41) ALDH1A1MAPTPOLBGLARECQL
SCHEMBL20916814 0.76 MAPT (0.41) ALDH1A1MAPTPOLBGLARECQL
SCHEMBL30554306 0.76 MAPT (0.41) ALDH1A1MAPTPOLBGLARECQL
SCHEMBL22284168 0.74 L3MBTL1 (0.36) MAPTPOLBGLARECQLATM

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-2020200161-A1 SALT OF INDAZOLYL-CONTAINING TRICYCLIC DERIVATIVE AND CRYSTAL FORM THEREOF 上海翰森生物医药科技有限公司 2020-10-08 WO disclosed