SCHEMBL21676162

SCHEMBL21676162

c1ccc(-n2c3ccccc3c3c4ccccc4c4c(c5ccccc5n4-c4ccc(-c5ccc6c7c(cccc57)-c5ccccc5-6)cc4)c32)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.39
L3MBTL1 Q9Y468 4/20 0.39
ATM Q13315 1/20 0.39
MAPK14 Q16539 1/20 0.35
ALDH1A1 P00352 6/20 0.35
KMT2A Q03164 5/20 0.35
KEAP1 Q14145 2/20 0.35
NFE2L2 Q16236 2/20 0.35
USP2 O75604 2/20 0.35
MAPT P10636 2/20 0.35
HTT P42858 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
POLB P06746 1/20 0.33
APOBEC3A P31941 1/20 0.33
RECQL P46063 1/20 0.33
CASP6 P55212 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33

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
SCHEMBL17341530 0.93 KEAP1 (0.36) KDM4EL3MBTL1ATMMAPK14ALDH1A1
SCHEMBL17427662 0.88 KDM4E (0.40) KDM4EL3MBTL1ATMMAPK14MAPT
SCHEMBL19046730 0.88 KEAP1 (0.34) KDM4EL3MBTL1ATMMAPK14ALDH1A1
SCHEMBL21676160 0.88 PDE6D (0.35) KDM4EL3MBTL1ATMMAPK14ALDH1A1
SCHEMBL21676159 0.87 L3MBTL1 (0.41) KDM4EL3MBTL1ATMALDH1A1KMT2A
SCHEMBL17341537 0.86 L3MBTL1 (0.40) KDM4EL3MBTL1ATMMAPK14ALDH1A1
SCHEMBL17071171 0.85 ALDH1A1 (0.35) L3MBTL1MAPK14ALDH1A1KEAP1NFE2L2
SCHEMBL17341531 0.85 KDM4E (0.36) KDM4EL3MBTL1ATMMAPK14ALDH1A1
SCHEMBL17071106 0.84 L3MBTL1 (0.36) KDM4EL3MBTL1ATMMAPK14ALDH1A1
SCHEMBL17341540 0.84 L3MBTL1 (0.36) KDM4EL3MBTL1ATMMAPK14ALDH1A1

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