SCHEMBL22650892

SCHEMBL22650892

Brc1cc2c3ccc4ccccc4c3n(-c3ccccc3)c2s1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FDPS P14324 1/20 0.35
▸ PRNP P04156 1/20 0.33
▸ KDM4E B2RXH2 3/20 0.33
▸ ATM Q13315 2/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ HPRT1 P00492 1/20 0.32
▸ CYP1B1 Q16678 2/20 0.32
▸ CYP1A1 P04798 1/20 0.32
▸ CNR1 P21554 1/20 0.32
▸ CNR2 P34972 1/20 0.32
▸ SIRT2 Q8IXJ6 1/20 0.32
▸ SIRT1 Q96EB6 1/20 0.32
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ PDE7A Q13946 2/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ HSD17B10 Q99714 3/20 0.31
▸ ALDH1A1 P00352 2/20 0.31

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
SCHEMBL10061174 0.78 HPRT1 (0.48) FDPSPRNPKDM4EATML3MBTL1
SCHEMBL24446243 0.77 L3MBTL1 (0.55) KDM4EATML3MBTL1MAPK1HSD17B10
SCHEMBL22650897 0.76 HPRT1 (0.36) FDPSPRNPKDM4EATML3MBTL1
SCHEMBL22650895 0.74 APAF1 (0.36) L3MBTL1CYP1B1CYP1A1CNR1CNR2
SCHEMBL12812891 0.74 L3MBTL1 (0.42) FDPSKDM4EATML3MBTL1HPRT1
SCHEMBL22650653 0.72 L3MBTL1 (0.44) PRNPKDM4EATML3MBTL1HPRT1
SCHEMBL12126569 0.72 L3MBTL1 (0.41) FDPSKDM4EATML3MBTL1HPRT1
SCHEMBL17486941 0.72 HPRT1 (0.50) PRNPKDM4EATML3MBTL1HPRT1
SCHEMBL10061173 0.72 L3MBTL1 (0.61) KDM4EATML3MBTL1HPRT1MAPK1
SCHEMBL19786333 0.71 ALDH1A1 (0.40) FDPSKDM4EATML3MBTL1HPRT1

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-2020226295-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE COMPRISING ORGANIC ELECTRIC ELEMENT 덕산네오룩스 주식회사 2020-11-12 — — WO disclosed
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