SCHEMBL22650686

SCHEMBL22650686

Clc1nc(C2=CC=CCC2)nc(-c2ccccc2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 4/20 0.37
HPGD P15428 5/20 0.36
ALDH1A1 P00352 5/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 3/20 0.35
KDM4E B2RXH2 2/20 0.35
GLA P06280 1/20 0.35
ADORA2A P29274 2/20 0.33
ADORA1 P30542 2/20 0.33
POLB P06746 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
ADORA2B P29275 1/20 0.33
CETP P11597 1/20 0.33
MAPT P10636 3/20 0.33
MAPK1 P28482 3/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 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
SCHEMBL27446980 0.97 MEN1 (0.36) MEN1KMT2AHTTL3MBTL1HPGD
SCHEMBL24727410 0.94 MEN1 (0.38) MEN1KMT2AHTTL3MBTL1HPGD
SCHEMBL24273020 0.93 MEN1 (0.37) MEN1KMT2AHTTL3MBTL1HPGD
SCHEMBL18904706 0.92 L3MBTL1 (0.42) MEN1KMT2AHTTL3MBTL1HPGD
SCHEMBL23597578 0.90 ALDH1A1 (0.35) MEN1KMT2AHTTL3MBTL1HPGD
SCHEMBL27456903 0.89 L3MBTL1 (0.40) MEN1KMT2AHTTL3MBTL1HPGD
SCHEMBL17379751 0.89 MEN1 (0.36) MEN1KMT2AHTTL3MBTL1HPGD
SCHEMBL24726878 0.87 MEN1 (0.30) MEN1KMT2AL3MBTL1HPGDALDH1A1
SCHEMBL25792177 0.85 NPC1 (0.32) NPC1RAB9A
SCHEMBL22085136 0.85 ADORA2A (0.53) MEN1KMT2AHTTL3MBTL1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024144241-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME 솔루스첨단소재 주식회사 2024-07-04 WO disclosed
EP-4265612-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME, MANUFACTURING METHOD THEREFOR, AND COMPOSITION FOR ORGANIC MATERIAL LAYER LT Materials Co., Ltd. (KR) 2023-10-25 EP disclosed
EP-4039774-B1 ORGANIC LIGHT-EMITTING MATERIAL AND ORGANIC LIGHT-EMITTING ELEMENT NIPPON STEEL CHEMICAL & MAT CO LTD (JP) 2023-09-20 EP disclosed
EP-4074706-A1 DEUTERATED HETEROCYCLIC COMPOUND, ORGANIC LIGHT EMITTING DEVICE INCLUDING THE SAME AND COMPOSITION FOR ORGANIC LAYER OF ORGANIC LIGHT EMITTING DEVICE LG Display Co., Ltd. (KR) 2022-10-19 EP disclosed
WO-2021132984-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DIODE COMPRISING SAME, AND COMPOSITION FOR ORGANIC LAYER OF ORGANIC LIGHT-EMITTING DIODE 엘티소재주식회사 2021-07-01 WO disclosed
WO-2020226295-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE COMPRISING ORGANIC ELECTRIC ELEMENT 덕산네오룩스 주식회사 2020-11-12 WO disclosed