SCHEMBL22868950

SCHEMBL22868950

c1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccc5ccc6c(c5c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-6)n3)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.40
MEN1 O00255 7/20 0.40
KMT2A Q03164 7/20 0.40
ALDH1A1 P00352 7/20 0.40
HPGD P15428 7/20 0.40
KDM4E B2RXH2 4/20 0.40
LMNA P02545 2/20 0.40
NTSR1 P30989 1/20 0.38
GLA P06280 1/20 0.37
PDK2 Q15119 3/20 0.36
TDP1 Q9NUW8 2/20 0.33
AGTR1 P30556 2/20 0.33
ADORA2A P29274 2/20 0.33
ADORA1 P30542 2/20 0.33
MAPK1 P28482 1/20 0.33
CYP1A1 P04798 1/20 0.33
CYP1B1 Q16678 1/20 0.33
CYP2C19 P33261 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
SMN1; SMN2 Q16637 2/20 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
SCHEMBL22869058 0.99 MAPT (0.40) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL22868823 0.93 CYP1A1 (0.44) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL22868801 0.93 MEN1 (0.36) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL22868499 0.92 MEN1 (0.39) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL22869072 0.91 MAPT (0.36) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL22869059 0.90 MEN1 (0.40) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL22868953 0.90 MAPT (0.34) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL22868695 0.90 PDK2 (0.38) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL20127172 0.89 HPGD (0.40) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL20127184 0.89 HPGD (0.40) MAPTMEN1KMT2AALDH1A1HPGD

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-20210005822-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME DUPONT SPECIALTY MATERIALS KOREA LTD (KR) 2021-01-07 US disclosed