SCHEMBL17033746

SCHEMBL17033746

c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccc(-c6cccnc6)cc5c5cc6cc7c8ccccc8c8ccccc8n7c6cc54)c3)n2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.37
CYP11B1 P15538 2/20 0.34
CYP17A1 P05093 1/20 0.34
CYP19A1 P11511 1/20 0.34
CYP11B2 P19099 1/20 0.34
METAP2 P50579 2/20 0.34
GRM5 P41594 1/20 0.34
NPY5R Q15761 1/20 0.34
CYP1A2 P05177 3/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2D6 P10635 2/20 0.33
CLK4 Q9HAZ1 2/20 0.33
FGFR1 P11362 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GLA P06280 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 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
SCHEMBL17033724 0.95 DHODH (0.36) MAPTCYP11B1CYP17A1CYP19A1CYP11B2
SCHEMBL17033752 0.91 KDM4E (0.38) NPY5RTSHRKMT2AATMPTGER4
SCHEMBL17033772 0.91 KDM4E (0.35) NPY5RTSHRKMT2AATMPTGER4
SCHEMBL17033613 0.91 MAPT (0.40) MAPTCYP11B1CYP17A1CYP19A1CYP11B2
SCHEMBL17033527 0.88 MAPT (0.40) MAPTCYP11B1CYP17A1CYP19A1CYP11B2
SCHEMBL17033617 0.88 KDM4E (0.38) NPY5RMEN1TSHRKMT2AATM
SCHEMBL17033620 0.88 KDM4E (0.38) MAPTNPY5RMEN1ALDH1A1TSHR
SCHEMBL17033598 0.88 KDM4E (0.40) NPY5RMEN1TSHRKMT2AATM
SCHEMBL17033774 0.87 KDM4E (0.37) NPY5RMEN1TSHRKMT2AATM
SCHEMBL17483374 0.87 MAPT (0.43) MAPTCYP11B1CYP17A1CYP19A1CYP11B2

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