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SCHEMBL21743644

SCHEMBL21743644

c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5cccc6c5Sc5ccccc5C6(c5ccccc5)c5ccccc5)cc4)n3)c2)cc1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.31
▸ MAPT P10636 3/20 0.31
▸ KMT2A Q03164 3/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ HPGD P15428 2/20 0.31
▸ KDM4E B2RXH2 2/20 0.31
▸ LMNA P02545 2/20 0.31
▸ GLA P06280 1/20 0.31
▸ PDK2 Q15119 1/20 0.30
▸ GP6 Q9HCN6 1/20 0.30
▸ OPRK1 P41145 1/20 0.30
▸ SMN1; SMN2 Q16637 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
SCHEMBL21743665 0.98 MEN1 (0.31) MEN1MAPTKMT2AALDH1A1HPGD
SCHEMBL21743623 0.96 GP6 (0.31) MEN1MAPTKMT2AKDM4ELMNA
SCHEMBL21743640 0.96 GP6 (0.31) MEN1MAPTKMT2AKDM4ELMNA
SCHEMBL21743630 0.96 MEN1 (0.32) MEN1MAPTKMT2AALDH1A1HPGD
SCHEMBL21744106 0.95 MEN1 (0.31) MEN1MAPTKMT2AALDH1A1HPGD
SCHEMBL21743633 0.95 MEN1 (0.33) MEN1MAPTKMT2AALDH1A1HPGD
SCHEMBL21743614 0.94 ADORA3 (0.32) MEN1MAPTKMT2AKDM4ELMNA
SCHEMBL21743386 0.94 MEN1 (0.32) MEN1MAPTKMT2AALDH1A1HPGD
SCHEMBL21743373 0.94 MEN1 (0.33) MEN1MAPTKMT2AALDH1A1HPGD
SCHEMBL21743563 0.93 ADORA3 (0.30) —

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-2020036313-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING SAME 주식회사 엘지화학 2020-02-20 — — WO disclosed