SCHEMBL22688461

SCHEMBL22688461

Brc1cccc(-c2ccc3c(c2)-c2c(ccc4ccccc24)C32c3ccccc3-c3ccccc32)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BIRC5 O15392 1/20 0.36
TDP2 O95551 1/20 0.35
MAOB P27338 2/20 0.34
MAOA P21397 1/20 0.34
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
CAMK2D Q13557 1/20 0.33
PGR P06401 2/20 0.32
GABRA1 P14867 2/20 0.32
GABRG2 P18507 2/20 0.32
GABRB3 P28472 2/20 0.32
GABRA5 P31644 2/20 0.32
GABRA3 P34903 2/20 0.32
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRA2 P47869 1/20 0.32
GABRB2 P47870 1/20 0.32

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
SCHEMBL19797290 0.91 TDP2 (0.38) BIRC5TDP2MAOBMAOACA12
SCHEMBL19822208 0.91 TDP2 (0.38) BIRC5TDP2MAOBMAOACA12
SCHEMBL19797310 0.89 CA12 (0.36) BIRC5TDP2MAOBMAOACA12
SCHEMBL22688472 0.88 HSD17B1 (0.38) BIRC5TDP2MAOBMAOACAMK2D
SCHEMBL19822249 0.88 CA12 (0.36) BIRC5TDP2MAOBMAOACA12
SCHEMBL19797294 0.86 CYP2A6 (0.39) DNMT1PDK2CYP2A6
SCHEMBL19797311 0.83 EPM2A (0.32)
SCHEMBL26808465 0.83 TDP2 (0.43) BIRC5TDP2MAOBMAOAPGR
SCHEMBL19822215 0.82 PDK2 (0.39) CA12CA1CA2CA9DNMT1
SCHEMBL19683805 0.82 CYP2A6 (0.38) DNMT1PDK2CYP2A6

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-2020231197-A1 ORGANIC ELECTRIC ELEMENT COMPRISING COMPOUND FOR ORGANIC ELECTRIC ELEMENT, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2020-11-19 WO disclosed