SCHEMBL17033690

SCHEMBL17033690

c1cncc(-c2cccc(-n3c4ccccc4c4ccc5c(nc6c7ccccc7c7ccccc7n56)c43)c2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
CYP11B1 P15538 5/20 0.36
CYP11B2 P19099 5/20 0.34
CYP19A1 P11511 3/20 0.34
CYP17A1 P05093 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
HSD17B1 P14061 1/20 0.34
CYP2B6 P20813 1/20 0.34
CYP2C19 P33261 1/20 0.34
HSD17B2 P37059 1/20 0.34
GRM5 P41594 1/20 0.34
DHFR P00374 2/20 0.34
KCNH2 Q12809 1/20 0.34
MAPK14 Q16539 1/20 0.33
MEN1 O00255 1/20 0.33
PSIP1 O75475 1/20 0.33
AXL P30530 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
SCHEMBL17033719 0.90 MAPT (0.34) MAPTHSD17B1HSD17B2GRM5DHFR
SCHEMBL17033678 0.89 GAA (0.36) MAPTMEN1ALDH1A1L3MBTL1
SCHEMBL17033481 0.87 DHODH (0.39) MAPTCYP11B1CYP11B2CYP19A1CYP17A1
SCHEMBL17033897 0.86 CYP19A1 (0.40) MAPTCYP11B1CYP19A1CYP2C9MAPK14
SCHEMBL17033519 0.85 HSD17B1 (0.37) CYP11B1CYP11B2CYP19A1CYP17A1CYP1A2
SCHEMBL17033509 0.85 KDM4E (0.39) MEN1ALDH1A1L3MBTL1
SCHEMBL17033722 0.84 MEN1 (0.33) MAPTMEN1ALDH1A1L3MBTL1
SCHEMBL17033700 0.84 GAA (0.33) MAPTMEN1ALDH1A1L3MBTL1
SCHEMBL16066363 0.84 MAPT (0.44) MAPTCYP11B1CYP11B2CYP19A1CYP17A1
SCHEMBL17033718 0.84 CHRNB4 (0.36) MAPTCYP11B1CYP11B2ALDH1A1L3MBTL1

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