SCHEMBL22868639

SCHEMBL22868639

CC1(C)c2ccccc2-c2c1ccc1cc(-c3nc4ccc5ccccc5c4nc3-c3ccccc3)ccc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.34
KDM4E B2RXH2 4/20 0.33
LMNA P02545 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 4/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
ADORA2A P29274 2/20 0.32
ADORA1 P30542 2/20 0.32
HTT P42858 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
THRB P10828 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
DHODH Q02127 1/20 0.31
SOS1 Q07889 1/20 0.31
GAA P10253 1/20 0.30
PDE10A Q9Y233 1/20 0.30
KMT2A Q03164 1/20 0.30
ATM Q13315 1/20 0.30
TLR9 Q9NR96 1/20 0.30
ESR1 P03372 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
SCHEMBL22868642 1.00 MAOA (0.34) MAOAKDM4ELMNASMN1; SMN2ALDH1A1
SCHEMBL24274827 0.94 KDM4E (0.32) MAOAKDM4ELMNASMN1; SMN2ALDH1A1
SCHEMBL22868731 0.94 KDM4E (0.34) MAOAKDM4ELMNASMN1; SMN2ALDH1A1
SCHEMBL22868735 0.94 KDM4E (0.34) MAOAKDM4ELMNASMN1; SMN2ALDH1A1
SCHEMBL24274839 0.93 KDM4E (0.32) MAOAKDM4ELMNASMN1; SMN2ALDH1A1
SCHEMBL22868556 0.89 LMNA (0.34) MAOAKDM4ELMNASMN1; SMN2ALDH1A1
SCHEMBL22868554 0.89 LMNA (0.34) MAOAKDM4ELMNASMN1; SMN2ALDH1A1
SCHEMBL22868641 0.88 TDP1 (0.42) KDM4ELMNASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL22186238 0.88 KDM4E (0.33) MAOAKDM4ELMNASMN1; SMN2ALDH1A1
SCHEMBL22186241 0.88 KDM4E (0.33) MAOAKDM4ELMNASMN1; SMN2ALDH1A1

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