SCHEMBL17033905

SCHEMBL17033905

Cc1ccc(-c2nc(-c3ccc(C)cc3)nc(-n3c4ccccc4c4ccc5c(cc6c7ccccc7c7ccccc7n65)c43)n2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP1B1 Q16678 1/20 0.36
MAPT P10636 5/20 0.35
LMNA P02545 4/20 0.35
HTT P42858 3/20 0.35
NPC1 O15118 1/20 0.34
XBP1 P17861 1/20 0.34
RAB9A P51151 1/20 0.34
ATM Q13315 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
NTSR1 P30989 1/20 0.34
POLB P06746 3/20 0.33
HPGD P15428 2/20 0.33
RAD52 P43351 2/20 0.33
FLT3 P36888 1/20 0.33
SMARCA2 P51531 1/20 0.33
GAA P10253 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
SCHEMBL17033775 0.90 MEN1 (0.33) MAPTLMNAATMKMT2AMEN1
SCHEMBL17033444 0.90 KDM4E (0.33) MAPTLMNAATMNPSR1KMT2A
SCHEMBL17033733 0.88 PDE10A (0.34) MAPTLMNANPC1RAB9AATM
SCHEMBL17033754 0.87 CYP1A1 (0.39) CYP1A1CYP1A2CYP1B1MAPTLMNA
SCHEMBL17033741 0.87 TSPO (0.34) MAPTATMKMT2AMEN1HPGD
SCHEMBL17033739 0.84 DHODH (0.35) CYP1A2MAPTLMNANPC1RAB9A
SCHEMBL17033437 0.83 KDM4E (0.31) MAPTATMKMT2AMEN1POLB
SCHEMBL17033449 0.83 KDM4E (0.38) MAPTHTTATMNPSR1KMT2A
SCHEMBL17033898 0.83 POLB (0.34) CYP1A1CYP1A2CYP1B1MAPTLMNA
SCHEMBL17033438 0.82 L3MBTL1 (0.37) MAPTHTTATMKMT2AMEN1

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
WO-2015125986-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2015-08-27 WO disclosed