SCHEMBL12782001

SCHEMBL12782001

ClC1=NC(c2ccccc2)NC(c2ccccc2)=N1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 3/20 0.45
▸ NOS2 P35228 1/20 0.40
▸ KMT2A Q03164 5/20 0.37
▸ MAPT P10636 5/20 0.37
▸ GAA P10253 3/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ HPGD P15428 1/20 0.37
▸ GFER P55789 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ MEN1 O00255 4/20 0.36
▸ NISCH Q9Y2I1 2/20 0.35
▸ NPC1 O15118 4/20 0.34
▸ RAB9A P51151 4/20 0.34
▸ RPS6KA3 P51812 1/20 0.33
▸ MECP2 P51608 1/20 0.31
▸ MBD2 Q9UBB5 1/20 0.31
▸ BLM P54132 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL24037118 0.97 P2RX7 (0.42) P2RX7NOS2KMT2AMAPTGAA
SCHEMBL23075240 0.87 P2RX7 (0.37) P2RX7NOS2KMT2AMAPTGAA
SCHEMBL15275975 0.85 NISCH (0.38) P2RX7NOS2KMT2AMAPTGAA
SCHEMBL22174543 0.84 EGFR (0.36) P2RX7KMT2AMAPTALDH1A1MEN1
SCHEMBL25523640 0.84 NISCH (0.39) P2RX7NOS2KMT2AKDM4EALDH1A1
SCHEMBL23075243 0.83 ESR1 (0.36) KMT2AKDM4EALDH1A1HSD17B10MEN1
SCHEMBL14406712 0.81 P2RX7 (0.46) P2RX7NOS2KMT2AMAPTGAA
SCHEMBL17297479 0.81 P2RX7 (0.46) P2RX7NOS2KMT2AMAPTGAA
SCHEMBL29315596 0.80 ESR1 (0.36) P2RX7NOS2NISCHNPC1
SCHEMBL29316537 0.80 CA12 (0.36) NOS2MAPTKDM4EALDH1A1HPGD

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4253378-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME Lg Chem, Ltd. (KR) 2023-10-04 — — EP disclosed
WO-2022131757-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2022-06-23 — — WO disclosed
WO-2022086297-A1 ORGANIC LIGHT-EMITTING DEVICE 주식회사 엘지화학 2022-04-28 — — WO disclosed
WO-2022086296-A1 ORGANIC LIGHT-EMITTING DEVICE 주식회사 엘지화학 2022-04-28 — — WO disclosed
WO-2020141949-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME 주식회사 엘지화학 2020-07-09 — — WO disclosed
EP-3604298-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME Heesung Material Ltd. (KR) 2020-02-05 — — EP disclosed
EP-3330342-A2 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DIODE USING SAME Heesung Material Ltd. (KR) 2018-06-06 — — EP disclosed
WO-2015125986-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2015-08-27 — — WO disclosed
WO-2011042107-A2 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2011-04-14 — — WO disclosed
WO-2010114264-A2 NOVEL ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME DOW ADVANCED DISPLAY MATERIALS,LTD. (KR) 2010-10-07 — — WO disclosed
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