SCHEMBL22136395

SCHEMBL22136395

Brc1ccc2c3cccc(-c4nc(-c5ccccc5)c5cc(-c6ccccc6)ccc5n4)c3n3c4ccccc4c4ccc1c2c43

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.36
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
USP1 O94782 2/20 0.32
WDR48 Q8TAF3 2/20 0.32
WHR1 P49842 1/20 0.31
PRNP P04156 1/20 0.31
CYP1B1 Q16678 2/20 0.31
ATR Q13535 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
SCHEMBL21473096 0.80 MEN1 (0.39) MEN1KMT2AATMWHR1
SCHEMBL22109730 0.77 MAPT (0.34) MEN1KMT2AATM
SCHEMBL21473105 0.76 MEN1 (0.43) MEN1KMT2AATM
SCHEMBL20444359 0.74 MEN1 (0.44) MEN1KMT2AATMWHR1
SCHEMBL17704969 0.74 MEN1 (0.46) MEN1KMT2AATM
SCHEMBL22109738 0.73 ALDH1A1 (0.35) MEN1KMT2AATM
SCHEMBL22109561 0.73 MEN1 (0.46) MEN1KMT2AATMWHR1
SCHEMBL23946309 0.72 KDM4E (0.37) MEN1KMT2AATM
SCHEMBL20444360 0.72 MEN1 (0.44) CYP1A2MEN1KMT2AATMWHR1
SCHEMBL17704940 0.71 MEN1 (0.49) CYP1A2MEN1KMT2AATMWHR1

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-2020130378-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE COMPRISING SAME 덕산네오룩스 주식회사 2020-06-25 WO disclosed