SCHEMBL17033748

SCHEMBL17033748

c1cncc(-c2ccc(-c3cc(-n4c5ccccc5c5ccc6c(cc7c8ccccc8c8ccccc8n76)c54)cc(-c4ccc(-c5cccnc5)cc4)n3)cc2)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.41
CYP19A1 P11511 2/20 0.40
CYP11B1 P15538 3/20 0.36
CYP11B2 P19099 4/20 0.35
CYP17A1 P05093 1/20 0.35
MAPT P10636 1/20 0.34
CHEK1 O14757 1/20 0.34
USP8 P40818 1/20 0.33
KDR P35968 1/20 0.33
TEK Q02763 1/20 0.33
PSD A5PKW4 1/20 0.32
FGFR1 P11362 1/20 0.32
PDE2A O00408 3/20 0.32
PDE5A O76074 3/20 0.32
PDE11A Q9HCR9 3/20 0.32
PDE10A Q9Y233 3/20 0.32
CYP2C9 P11712 1/20 0.32
PDE4A P27815 1/20 0.32

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
SCHEMBL17033647 0.89 DHODH (0.40) DHODHCYP19A1CYP11B1CYP11B2CYP17A1
SCHEMBL17033861 0.88 DHODH (0.41) DHODHCYP19A1CYP11B1CYP11B2CYP17A1
SCHEMBL17033482 0.86 DHODH (0.42) DHODHCYP19A1CYP11B1CYP11B2CYP17A1
SCHEMBL17033917 0.86 CYP19A1 (0.43) DHODHCYP19A1CYP11B1MAPTUSP8
SCHEMBL17033481 0.86 DHODH (0.39) DHODHCYP19A1CYP11B1CYP11B2CYP17A1
SCHEMBL17033419 0.85 MAPT (0.40) CYP19A1CYP11B1CYP11B2CYP17A1MAPT
SCHEMBL17033413 0.83 DHODH (0.41) DHODHCYP19A1CYP11B1CYP11B2CYP17A1
SCHEMBL17033789 0.83 DHODH (0.39) DHODHCYP19A1CYP11B1CYP11B2CYP17A1
SCHEMBL16066194 0.83 DHODH (0.43) DHODHCYP19A1CYP11B1CYP11B2MAPT
SCHEMBL17033923 0.81 HPGD (0.41) DHODHMAPTPDE5ACYP2C9

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