SCHEMBL21676159

SCHEMBL21676159

c1ccc(-n2c3ccccc3c3c4ccccc4c4c(c5ccccc5n4-c4ccc5c6c(cccc46)-c4ccccc4-5)c32)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.41
KDM4E B2RXH2 4/20 0.41
ATM Q13315 1/20 0.41
KMT2A Q03164 7/20 0.37
ALDH1A1 P00352 6/20 0.37
MEN1 O00255 6/20 0.37
USP2 O75604 4/20 0.37
HTT P42858 4/20 0.37
TLR9 Q9NR96 2/20 0.37
TNNI3 P19429 1/20 0.37
TNNT2 P45379 1/20 0.37
TNNC1 P63316 1/20 0.37
MAPT P10636 4/20 0.36
KEAP1 Q14145 2/20 0.36
NFE2L2 Q16236 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
POLB P06746 2/20 0.35
APOBEC3A P31941 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
SCHEMBL21676160 0.92 PDE6D (0.35) L3MBTL1KDM4EATMKMT2AALDH1A1
SCHEMBL21676181 0.90 ALDH1A1 (0.35) L3MBTL1KDM4EATMKMT2AALDH1A1
SCHEMBL17341526 0.89 KEAP1 (0.41) L3MBTL1KDM4EATMKMT2AALDH1A1
SCHEMBL19997995 0.88 KDM4E (0.42) L3MBTL1KDM4EATMKMT2AALDH1A1
SCHEMBL24767935 0.87 KDM4E (0.36) L3MBTL1KDM4EATMKMT2AALDH1A1
SCHEMBL21676162 0.87 KDM4E (0.39) L3MBTL1KDM4EATMKMT2AALDH1A1
SCHEMBL21676161 0.86 L3MBTL1 (0.41) L3MBTL1KDM4EATMKMT2AALDH1A1
SCHEMBL21676168 0.85 ALDH1A1 (0.38) L3MBTL1KMT2AALDH1A1MEN1USP2
SCHEMBL16999544 0.84 L3MBTL1 (0.39) L3MBTL1KDM4EATMKMT2AALDH1A1
SCHEMBL17245482 0.84 L3MBTL1 (0.57) L3MBTL1KDM4EATMKMT2AALDH1A1

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-2020026133-A1 POLYCYCLIC COMPOUND, ORGANIC ELECTROLUMINESCENCE DEVICE, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2020-02-06 WO disclosed