SCHEMBL29048682

SCHEMBL29048682

C=C(C(=O)O)c1cccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)c1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.53
KMT2A Q03164 8/20 0.53
NTSR1 P30989 1/20 0.53
ADORA1 P30542 9/20 0.51
ADORA3 P0DMS8 5/20 0.51
ALDH1A1 P00352 6/20 0.50
MAPT P10636 6/20 0.50
HPGD P15428 6/20 0.50
KDM4E B2RXH2 4/20 0.50
LMNA P02545 2/20 0.50
GLA P06280 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
CYP2C19 P33261 1/20 0.50
ADORA2A P29274 5/20 0.48
ADORA2B P29275 1/20 0.44

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
SCHEMBL30526046 1.00 MEN1 (0.53) MEN1KMT2ANTSR1ADORA1ADORA3
SCHEMBL30526043 0.90 KMO (0.46) MEN1KMT2ANTSR1ADORA1ADORA3
SCHEMBL4804883 0.83 KMO (0.62) MAPT
SCHEMBL22281624 0.80 MEN1 (0.60) MEN1KMT2ANTSR1ADORA1ADORA3
SCHEMBL9886197 0.78 MEN1 (0.68) MEN1KMT2ANTSR1ADORA1ALDH1A1
SCHEMBL30526001 0.78 L3MBTL1 (0.45) MEN1KMT2ANTSR1ADORA1ADORA3
SCHEMBL10362484 0.77 SIRT2 (0.52)
SCHEMBL14426231 0.77 MEN1 (0.61) MEN1KMT2ANTSR1ADORA1ALDH1A1
SCHEMBL38655373 0.77 MEN1 (0.61) MEN1KMT2ANTSR1ADORA1ALDH1A1
SCHEMBL9920560 0.77 MEN1 (0.66) MEN1KMT2ANTSR1ADORA1ALDH1A1

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-110709387-B Novel cyclic compound and organic light-emitting device using same 株式会社LG化学 2023-08-08 CN disclosed