SCHEMBL22868786

SCHEMBL22868786

CC1(C)c2ccccc2-c2cc3cc(-c4nc(-c5ccccc5)nc(-c5ccc(-c6ccccc6)cc5)n4)ccc3cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPT P10636 2/20 0.39
HPGD P15428 2/20 0.39
RARA P10276 3/20 0.37
RARB P10826 3/20 0.37
RARG P13631 3/20 0.37
PDK2 Q15119 5/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KDM4E B2RXH2 2/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
LMNA P02545 1/20 0.35
GLA P06280 1/20 0.35
ESR1 P03372 2/20 0.34
ESR2 Q92731 2/20 0.34
CYP11B1 P15538 1/20 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
SCHEMBL22868504 1.00 MEN1 (0.39) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL22868845 1.00 MEN1 (0.39) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL22868564 0.99 MEN1 (0.40) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL22868562 0.99 MEN1 (0.40) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL22869079 0.96 MEN1 (0.40) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL22868615 0.95 MEN1 (0.37) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL22868616 0.95 MEN1 (0.37) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL22880263 0.93 PDK2 (0.38) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL26448180 0.92 PDK2 (0.43) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL18386124 0.89 ESR1 (0.40) MEN1KMT2AALDH1A1MAPTHPGD

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