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SCHEMBL19061677

SCHEMBL19061677

CC1(C)c2ccccc2-c2ccc(-c3ccccc3-c3ccc4c(c3)c3ccccc3n4-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccccc5)cc4)n3)cc21

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NPY5R Q15761 2/20 0.33
▸ PDK2 Q15119 1/20 0.33
▸ TSPO P30536 1/20 0.32
▸ PTGER4 P35408 3/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ RARB P10826 1/20 0.30
▸ RARG P13631 1/20 0.30
▸ RXRA P19793 1/20 0.30

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
SCHEMBL19061442 0.99 NPY5R (0.33) NPY5RPDK2TSPOPTGER4MEN1
SCHEMBL19061242 0.97 PDK2 (0.36) NPY5RPDK2TSPOPTGER4MEN1
SCHEMBL19061676 0.97 PDK2 (0.36) NPY5RPDK2TSPOPTGER4MEN1
SCHEMBL12455234 0.96 PDK2 (0.34) NPY5RPDK2TSPOPTGER4MEN1
SCHEMBL19061989 0.95 PDK2 (0.34) NPY5RPDK2TSPOPTGER4MEN1
SCHEMBL19061206 0.94 PDK2 (0.33) NPY5RPDK2TSPOPTGER4MEN1
SCHEMBL19061536 0.94 PDK2 (0.33) PDK2MEN1ALDH1A1MAPTHPGD
SCHEMBL19061285 0.93 PTGER4 (0.35) NPY5RPDK2TSPOPTGER4MEN1
SCHEMBL19061430 0.93 TUBB4A (0.35) NPY5RPDK2TSPOPTGER4MEN1
SCHEMBL23318273 0.93 PDK2 (0.36) NPY5RPDK2TSPOPTGER4

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-2017111389-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DIODE INCLUDING SAME 주식회사 두산 2017-06-29 — — WO disclosed
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