SCHEMBL23822227

SCHEMBL23822227

c1ccc(-c2nc(-n3c4ccccc4c4cc(-c5ccc6[nH]c7ccccc7c6c5)ccc43)nc3ccccc23)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
HPGD P15428 4/20 0.44
KDM4E B2RXH2 4/20 0.44
NPSR1 Q6W5P4 2/20 0.44
MAPT P10636 1/20 0.44
L3MBTL1 Q9Y468 3/20 0.42
LMNA P02545 1/20 0.41
NPY5R Q15761 2/20 0.41
HSD17B10 Q99714 2/20 0.39
TSHR P16473 1/20 0.39
ATM Q13315 2/20 0.38
POLB P06746 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KMT2A Q03164 3/20 0.37
TOP2A P11388 1/20 0.36
ADORA2A P29274 1/20 0.36
NUDT1 P36639 1/20 0.36
MGAM O43451 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL26468499 0.88 ALDH1A1 (0.40) ALDH1A1HPGDKDM4ENPSR1MAPT
SCHEMBL18505394 0.88 ALDH1A1 (0.52) ALDH1A1HPGDKDM4ENPSR1MAPT
SCHEMBL19041690 0.88 ALDH1A1 (0.52) ALDH1A1HPGDKDM4ENPSR1MAPT
SCHEMBL18943355 0.87 ALDH1A1 (0.41) ALDH1A1HPGDKDM4ENPSR1MAPT
SCHEMBL19597647 0.87 ALDH1A1 (0.35) ALDH1A1HPGDKDM4ENPSR1MAPT
SCHEMBL21942544 0.87 ALDH1A1 (0.37) ALDH1A1HPGDKDM4ENPSR1MAPT
SCHEMBL11998330 0.86 NPY5R (0.39) ALDH1A1HPGDKDM4EMAPTNPY5R
SCHEMBL23132039 0.86 NPY5R (0.43) ALDH1A1HPGDKDM4ENPSR1MAPT
SCHEMBL21862881 0.86 ALDH1A1 (0.50) ALDH1A1HPGDKDM4ENPSR1MAPT
SCHEMBL18505395 0.85 ALDH1A1 (0.55) ALDH1A1HPGDKDM4ENPSR1MAPT

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
US-20210288271-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2021-09-16 US disclosed