SCHEMBL17033482

SCHEMBL17033482

c1cncc(-c2ccc(-c3cc(-n4c5ccccc5c5cc6c(cc54)cc4c5ccccc5c5ccccc5n64)cc(-c4ccc(-c5cccnc5)cc4)n3)cc2)c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.42
CYP19A1 P11511 2/20 0.41
CYP11B1 P15538 2/20 0.37
CYP11B2 P19099 2/20 0.36
CYP17A1 P05093 1/20 0.36
FGFR1 P11362 1/20 0.35
PSD A5PKW4 1/20 0.35
CHEK1 O14757 1/20 0.34
METAP2 P50579 4/20 0.33
KIF11 P52732 1/20 0.33
KDR P35968 1/20 0.33
TEK Q02763 1/20 0.33
NPY5R Q15761 1/20 0.33
CYP1A2 P05177 3/20 0.33
MAPT P10636 1/20 0.32
CYP2C9 P11712 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
SCHEMBL17033413 0.97 DHODH (0.41) DHODHCYP19A1CYP11B1CYP11B2CYP17A1
SCHEMBL17033861 0.88 DHODH (0.41) DHODHCYP19A1CYP11B1CYP11B2CYP17A1
SCHEMBL17033748 0.86 DHODH (0.41) DHODHCYP19A1CYP11B1CYP11B2CYP17A1
SCHEMBL16066974 0.86 DHODH (0.43) DHODHCYP19A1CYP11B1CYP11B2MAPT
SCHEMBL17033527 0.86 MAPT (0.40) CYP19A1CYP11B1CYP11B2CYP17A1FGFR1
SCHEMBL16362430 0.84 CYP19A1 (0.49) DHODHCYP19A1CYP11B1CYP11B2CYP17A1
SCHEMBL17033789 0.84 DHODH (0.39) DHODHCYP19A1CYP11B1CYP11B2CYP17A1
SCHEMBL17033679 0.84 DHODH (0.41) DHODHCYP19A1CYP11B1CYP11B2CYP17A1
SCHEMBL17033647 0.83 DHODH (0.40) DHODHCYP19A1CYP11B1CYP11B2CYP17A1
SCHEMBL16067164 0.83 DHODH (0.43) DHODHCYP19A1CYP11B1CYP11B2MAPT

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