SCHEMBL23920580

SCHEMBL23920580

CCC(C)N(c1ccccc1)c1ccc(-c2ccccc2)cc1-c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
MEN1 O00255 1/20 0.37
APAF1 O14727 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
XBP1 P17861 1/20 0.37
PTBP1 P26599 1/20 0.37
HTT P42858 1/20 0.37
GALK1 P51570 1/20 0.37
BLM P54132 1/20 0.37
SMAD3 P84022 1/20 0.37
KMT2A Q03164 1/20 0.37
ATM Q13315 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PTGS2 P35354 3/20 0.35
CYP17A1 P05093 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
SCHEMBL23874885 0.86 MAPT (0.43) NPC1RAB9AMEN1APAF1LMNA
SCHEMBL23920581 0.84 LMNA (0.37) MEN1LMNAMAPTHTTKMT2A
SCHEMBL20152511 0.83 MAPT (0.43) NPC1RAB9AMEN1APAF1LMNA
SCHEMBL23920578 0.82 PGR (0.37) MEN1KMT2APTGS2
SCHEMBL21514979 0.80 PTGS2 (0.41) LMNAMAPTHTTSMN1; SMN2L3MBTL1
SCHEMBL24701233 0.78 CRHR1 (0.36) NPC1RAB9AMEN1APAF1LMNA
SCHEMBL15505867 0.77 MAPT (0.41) NPC1RAB9AMEN1APAF1LMNA
SCHEMBL1454888 0.76 ALDH1A1 (0.43) NPC1RAB9ALMNAMAPTHTT
SCHEMBL24865127 0.76 ALDH1A1 (0.43) NPC1RAB9ALMNAMAPTHTT
SCHEMBL25000805 0.75 MAPT (0.40) NPC1RAB9AMEN1APAF1LMNA

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-20210320263-A1 ORGANIC ELECTROLUMINESCENT COMPOUND, A PLURALITY OF HOST MATERIALS, AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME DUPONT SPECIALTY MATERIALS KOREA LTD. (KR) 2021-10-14 US disclosed