SCHEMBL17412415

SCHEMBL17412415

Clc1cc(-c2cc3ccccc3c3ccccc23)nc(-c2ccc(-c3ccccc3)cc2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.49
CYP11B1 P15538 1/20 0.43
ATP4A P20648 1/20 0.42
ATP4B P51164 1/20 0.42
HSP90AA1 P07900 2/20 0.41
HSP90AB1 P08238 2/20 0.41
KDM4E B2RXH2 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
POLB P06746 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
MEN1 O00255 6/20 0.40
KMT2A Q03164 6/20 0.40
MAPT P10636 4/20 0.40
MCOLN3 Q8TDD5 1/20 0.40
ALDH1A1 P00352 3/20 0.39
HPGD P15428 3/20 0.39
NTSR1 P30989 1/20 0.39
GPR84 Q9NQS5 1/20 0.38
HTT P42858 1/20 0.38
CTRC Q99895 1/20 0.37

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
SCHEMBL17412410 0.97 LMNA (0.51) LMNACYP11B1ATP4AATP4BHSP90AA1
SCHEMBL22274009 0.90 LMNA (0.47) LMNACYP11B1ATP4AATP4BHSP90AA1
SCHEMBL22249382 0.90 KDM4E (0.47) LMNACYP11B1ATP4AATP4BHSP90AA1
SCHEMBL18804087 0.89 MEN1 (0.49) LMNACYP11B1KDM4EL3MBTL1POLB
SCHEMBL22274622 0.88 LMNA (0.43) LMNACYP11B1ATP4AATP4BHSP90AA1
SCHEMBL10051305 0.86 MEN1 (0.54) LMNACYP11B1KDM4EL3MBTL1MEN1
SCHEMBL10051206 0.86 MEN1 (0.54) LMNACYP11B1KDM4EL3MBTL1MEN1
SCHEMBL17932627 0.86 MEN1 (0.54) LMNACYP11B1KDM4EL3MBTL1MEN1
SCHEMBL17412430 0.85 HSP90AA1 (0.41) LMNACYP11B1HSP90AA1HSP90AB1KDM4E
SCHEMBL10051205 0.85 CYP11B1 (0.47) LMNACYP11B1KDM4EL3MBTL1MEN1

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-2016003225-A2 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE COMPRISING SAME 덕산네오룩스 주식회사 2016-01-07 WO disclosed