SCHEMBL22650897

SCHEMBL22650897

c1ccc(-n2c3sccc3c3ccc4ccccc4c32)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPRT1 P00492 1/20 0.36
▸ KDM4E B2RXH2 3/20 0.36
▸ ATM Q13315 2/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ ALDH1A1 P00352 4/20 0.35
▸ HPGD P15428 3/20 0.35
▸ POLB P06746 1/20 0.35
▸ TSHR P16473 2/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ TDP1 Q9NUW8 2/20 0.34
▸ CYP2A6 P11509 1/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ SIRT2 Q8IXJ6 1/20 0.34
▸ SIRT1 Q96EB6 1/20 0.34
▸ PRNP P04156 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CASP1 P29466 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
SCHEMBL10061174 0.82 HPRT1 (0.48) HPRT1KDM4EATML3MBTL1ALDH1A1
SCHEMBL17486941 0.77 HPRT1 (0.50) HPRT1KDM4EATML3MBTL1ALDH1A1
SCHEMBL10061173 0.76 L3MBTL1 (0.61) HPRT1KDM4EATML3MBTL1ALDH1A1
SCHEMBL22924443 0.76 L3MBTL1 (0.61) KDM4EATML3MBTL1ALDH1A1HPGD
SCHEMBL22650892 0.76 FDPS (0.35) HPRT1KDM4EATML3MBTL1ALDH1A1
SCHEMBL15750063 0.75 GABRP (0.43) KDM4EALDH1A1HPGDTSHRHSD17B10
SCHEMBL23348261 0.74 CYP1A2 (0.42) HPRT1KDM4EATML3MBTL1ALDH1A1
SCHEMBL22650653 0.74 L3MBTL1 (0.44) HPRT1KDM4EATML3MBTL1ALDH1A1
SCHEMBL18667696 0.73 HPRT1 (0.43) HPRT1KDM4EATML3MBTL1ALDH1A1
SCHEMBL17989779 0.73 KDM4E (0.57) HPRT1KDM4EATML3MBTL1ALDH1A1

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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