SCHEMBL22936014

SCHEMBL22936014

CC1(C)c2ccccc2C(C)(C)c2cc(Nc3cccc4sc5ccccc5c34)ccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 7/20 0.36
▸ TDO2 P48775 2/20 0.36
▸ PTGIR P43119 1/20 0.34
▸ GPR3 P46089 1/20 0.33
▸ MAPT P10636 3/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ TDP1 Q9NUW8 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ POLB P06746 1/20 0.32
▸ DUSP3 P51452 1/20 0.32
▸ BLM P54132 1/20 0.32
▸ PTPN5 P54829 1/20 0.32
▸ PTPN11 Q06124 1/20 0.32
▸ MCL1 Q07820 1/20 0.32
▸ CTDSP1 Q9GZU7 1/20 0.32
▸ FADS1 O60427 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
SCHEMBL17742383 0.90 PDK2 (0.34) IDO1TDO2PTGIRGPR3PARP14
SCHEMBL21615061 0.85 PDK2 (0.35) IDO1TDO2PTGIRGPR3MAPT
SCHEMBL23372693 0.84 MAP3K8 (0.34) MAPTMEN1KMT2ATDP1KDM4E
SCHEMBL23372692 0.83 MAP3K8 (0.33) IDO1
SCHEMBL24969653 0.83 SLC9A1 (0.33) —
SCHEMBL23372591 0.83 PARP14 (0.34) IDO1TDO2PTGIRPARP14
SCHEMBL23372590 0.81 PDK2 (0.35) MAPTMEN1KMT2ATDP1KDM4E
SCHEMBL23372564 0.81 FADS1 (0.34) FADS1RAB9AALDH1A1TP53CYP3A4
SCHEMBL23372978 0.81 PDK2 (0.35) TDO2PTGIRMAPTMEN1KMT2A
SCHEMBL23372691 0.81 F9 (0.34) PARP14

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-2021020931-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2021-02-04 — — WO disclosed
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