SCHEMBL23679368

SCHEMBL23679368

Clc1cc(C2=CCCC=C2)nc(-c2ccccc2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
ATP4A P20648 1/20 0.41
ATP4B P51164 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.40
POLB P06746 3/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
MEN1 O00255 6/20 0.39
KMT2A Q03164 6/20 0.39
MAPT P10636 2/20 0.39
MCOLN3 Q8TDD5 1/20 0.39
HTT P42858 2/20 0.37
ADORA2A P29274 2/20 0.36
ADORA1 P30542 2/20 0.36
HPGD P15428 3/20 0.35
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NTSR1 P30989 1/20 0.35

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
SCHEMBL22914417 0.86 KDM4E (0.45) LMNAATP4AATP4BKDM4EHSP90AA1
SCHEMBL21338518 0.82 LMNA (0.47) LMNAKDM4EHSP90AA1L3MBTL1MEN1
SCHEMBL17073586 0.81 ADORA1 (0.45) LMNAKDM4EL3MBTL1MEN1KMT2A
SCHEMBL17033540 0.81 MEN1 (0.61) LMNAKDM4EHSP90AA1HSP90AB1L3MBTL1
SCHEMBL15871198 0.81 MEN1 (0.43) KDM4EHSP90AA1HSP90AB1L3MBTL1MEN1
SCHEMBL20407245 0.80 MEN1 (0.46) LMNAKDM4EL3MBTL1MEN1KMT2A
SCHEMBL13262321 0.79 L3MBTL1 (0.44) LMNAKDM4EL3MBTL1POLBMEN1
SCHEMBL24222663 0.79 AGTR1 (0.50) LMNAKDM4EMEN1KMT2AMAPT
SCHEMBL19546779 0.79 AGTR1 (0.50) LMNAKDM4EMEN1KMT2AMAPT
SCHEMBL16566416 0.79 MEN1 (0.39) LMNAATP4AATP4BKDM4EL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3604298-B1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME LT MATERIALS CO LTD (KR) 2022-03-30 EP disclosed
EP-3604296-B1 ORGANIC LIGHT EMITTING ELEMENT AND COMPOSITION FOR ORGANIC MATERIAL LAYER IN ORGANIC LIGHT EMITTING ELEMENT LT MATERIALS CO LTD (KR) 2021-07-28 EP disclosed