SCHEMBL23626007

SCHEMBL23626007

c1ccc(-c2ccc(-c3nc(-n4c5ccc(-c6ccc7c(c6)-c6ccccc6C76C7CC8CC9CC6C897)cc5c5c6ccccc6ccc54)nc4ccccc34)cc2)cc1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
KDM4E B2RXH2 2/20 0.33
HPGD P15428 3/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
POLB P06746 1/20 0.30
MAPK1 P28482 1/20 0.30
ATM Q13315 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
SCN9A Q15858 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL25054641 0.90 ALDH1A1 (0.33) ALDH1A1L3MBTL1KDM4EHPGDLMNA
SCHEMBL23626310 0.89 ALDH1A1 (0.34) ALDH1A1L3MBTL1KDM4EHPGDLMNA
SCHEMBL23626013 0.85
SCHEMBL23626250 0.85
SCHEMBL23626224 0.84
SCHEMBL23625993 0.82
SCHEMBL23626233 0.82
SCHEMBL24627037 0.82 ALDH1A1 (0.35) ALDH1A1L3MBTL1KDM4EHPGDLMNA
SCHEMBL15791097 0.81 ALDH1A1 (0.47) ALDH1A1L3MBTL1KDM4EHPGDLMNA
SCHEMBL15868881 0.80 ALDH1A1 (0.37) ALDH1A1L3MBTL1KDM4EHPGDLMNA

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-2021135181-A1 NITROGEN-CONTAINING COMPOUND, ORGANIC ELECTROLUMINESCENT DEVICE AND ELECTRONIC DEVICE 陕西莱特光电材料股份有限公司 2021-07-08 WO disclosed