SCHEMBL19486648

SCHEMBL19486648

c1ccc(-c2ccc(-c3cc(-c4cc(-c5ccc(-c6cccnc6)cc5)cc(-c5ccc6ccccc6c5)c4)nc(-c4ccccc4)n3)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B2 P19099 9/20 0.68
▸ CYP11B1 P15538 8/20 0.68
▸ CYP19A1 P11511 6/20 0.68
▸ CYP17A1 P05093 4/20 0.68
▸ NPC1 O15118 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ CYP1A1 P04798 1/20 0.49
▸ CYP1B1 Q16678 1/20 0.49
▸ CYP2A6 P11509 1/20 0.48
▸ DHODH Q02127 1/20 0.47
▸ SIRT2 Q8IXJ6 1/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ NTSR1 P30989 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ PGR P06401 1/20 0.44
▸ MKNK1 Q9BUB5 1/20 0.43
▸ MKNK2 Q9HBH9 1/20 0.43

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
SCHEMBL19397595 1.00 CYP11B2 (0.68) CYP11B2CYP11B1CYP19A1CYP17A1NPC1
SCHEMBL19486520 1.00 CYP11B2 (0.68) CYP11B2CYP11B1CYP19A1CYP17A1NPC1
SCHEMBL19397632 0.96 CYP11B2 (0.66) CYP11B2CYP11B1CYP19A1CYP17A1NPC1
SCHEMBL19397532 0.96 CYP11B2 (0.65) CYP11B2CYP11B1CYP19A1CYP17A1NPC1
SCHEMBL21725381 0.96 CYP11B2 (0.69) CYP11B2CYP11B1CYP19A1CYP17A1NPC1
SCHEMBL19039924 0.96 CYP11B2 (0.69) CYP11B2CYP11B1CYP19A1CYP17A1NPC1
SCHEMBL17808057 0.96 CYP11B2 (0.73) CYP11B2CYP11B1CYP19A1CYP17A1NPC1
SCHEMBL17808172 0.96 CYP11B2 (0.73) CYP11B2CYP11B1CYP19A1CYP17A1NPC1
SCHEMBL19397379 0.96 CYP11B2 (0.73) CYP11B2CYP11B1CYP19A1CYP17A1NPC1
SCHEMBL22809368 0.95 CYP11B2 (0.68) CYP11B2CYP11B1CYP19A1CYP17A1NPC1

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-2017179809-A1 ORGANIC LIGHT-EMITTING COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME 주식회사 두산 2017-10-19 — — WO disclosed
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