SCHEMBL23936458

SCHEMBL23936458

CC1(C)c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-c2c(-c3ccccc3)cccc2C1(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.40
KMT2A Q03164 7/20 0.40
ALDH1A1 P00352 5/20 0.40
MAPT P10636 5/20 0.40
HPGD P15428 5/20 0.40
KDM4E B2RXH2 3/20 0.38
LMNA P02545 3/20 0.38
GLA P06280 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NTSR1 P30989 1/20 0.36
ADORA2A P29274 3/20 0.36
ADORA1 P30542 3/20 0.36
ADORA3 P0DMS8 2/20 0.36
ADORA2B P29275 2/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
PDK2 Q15119 6/20 0.35
POLB P06746 2/20 0.34
RARB P10826 1/20 0.34
RARG P13631 1/20 0.34

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
SCHEMBL23936171 0.99 MEN1 (0.39) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL23936091 0.97 MEN1 (0.38) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL23936715 0.96 MEN1 (0.37) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL23936208 0.96 MEN1 (0.39) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL23936449 0.94 CYP1A1 (0.39) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL23936193 0.93 PDK2 (0.38) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL23936109 0.93 MEN1 (0.37) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL23936269 0.91 RARB (0.36) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL23936093 0.91 MEN1 (0.35) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL23936198 0.90 PDK2 (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-20210328150-A1 ORGANIC ELECTROLUMINESCENT COMPOUND, ORGANIC ELECTROLUMINESCENT MATERIAL COMPRISING THE SAME, AND ORGANIC ELECTROLUMINESCENT DEVICE DUPONT SPECIALTY MATERIALS KOREA LTD. (KR) 2021-10-21 US disclosed