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Sugi Predict / Compounds / SCHEMBL15088936

SCHEMBL15088936

SCHEMBL15088936

c1ccc(-c2ccc3c(c2)c2c4c(ccc2n3-c2cc(-c3ccccn3)nc(-c3ccccn3)n2)-c2ccc(-c3ccccc3)c3cccc(c23)N4c2ccccc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 13/20 0.36
▸ PIK3CA P42336 1/20 0.33
▸ PIK3CB P42338 1/20 0.33
▸ PIK3CG P48736 1/20 0.33
▸ METAP1 P53582 1/20 0.31
▸ MAPT P10636 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ PPP1CA P62136 1/20 0.30
▸ HIF1A Q16665 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30
▸ L3MBTL1 Q9Y468 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
SCHEMBL15088935 0.92 METAP1 (0.32) GRM5METAP1
SCHEMBL15089081 0.91 GRM5 (0.36) GRM5METAP1MAPTRAB9APPP1CA
SCHEMBL15089071 0.88 CNR2 (0.36) GRM5MAPT
SCHEMBL15088938 0.87 TSHR (0.32) GRM5PIK3CAPIK3CBPIK3CGMAPT
SCHEMBL15088948 0.86 GRM5 (0.35) GRM5
SCHEMBL15089317 0.86 GRM5 (0.33) GRM5PIK3CAPIK3CBPIK3CGMETAP1
SCHEMBL15088967 0.85 GRM5 (0.32) GRM5MAPT
SCHEMBL15088957 0.85 MEN1 (0.34) PIK3CAMAPT
SCHEMBL15088937 0.83 GRM5 (0.33) GRM5
SCHEMBL15088958 0.82 METAP1 (0.32) METAP1

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-2013100497-A1 ORGANIC LIGHT-EMITTING COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME 주식회사 두산 (KR) 2013-07-04 — — WO disclosed