SCHEMBL30554306

SCHEMBL30554306

O=C(O)C=Cc1cc2c(-c3ccncc3)nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2cc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.41
POLB P06746 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
ATM Q13315 2/20 0.41
GLA P06280 1/20 0.41
RECQL P46063 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NPSR1 Q6W5P4 2/20 0.39
CA2 P00918 3/20 0.36
CA9 Q16790 3/20 0.36
GAA P10253 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
BLM P54132 1/20 0.35
MCL1 Q07820 1/20 0.35
PKM P14618 1/20 0.34
CCNC P24863 1/20 0.33
CDK8 P49336 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL20916815 1.00 MAPT (0.41) MAPTPOLBL3MBTL1ATMGLA
SCHEMBL20916814 1.00 MAPT (0.41) MAPTPOLBL3MBTL1ATMGLA
SCHEMBL22284166 0.90 POLB (0.39) MAPTPOLBL3MBTL1ATMGLA
SCHEMBL20916968 0.90 POLB (0.39) MAPTPOLBL3MBTL1ATMGLA
SCHEMBL17555398 0.89 MAPT (0.42) MAPTPOLBL3MBTL1ATMGLA
SCHEMBL17555400 0.89 MAPT (0.42) MAPTPOLBL3MBTL1ATMGLA
SCHEMBL17555399 0.89 MAPT (0.42) MAPTPOLBL3MBTL1ATMGLA
SCHEMBL20916813 0.88 ALDH1A1 (0.39) MAPTL3MBTL1NPSR1GAAALDH1A1
SCHEMBL30554363 0.88 ALDH1A1 (0.39) MAPTL3MBTL1NPSR1GAAALDH1A1
SCHEMBL22284169 0.86 L3MBTL1 (0.36) MAPTPOLBL3MBTL1ATMGLA

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
CN-112020357-B Salt of indazolyl-containing tricyclic derivative and crystal form thereof 上海翰森生物医药科技有限公司 2023-08-29 CN disclosed