SCHEMBL22064973

SCHEMBL22064973

CC1(C)c2ccccc2N(c2ccc(-c3ncc(C#N)cc3C#N)cc2)c2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 3/20 0.40
AR P10275 1/20 0.35
EGLN1 Q9GZT9 1/20 0.33
EGLN2 Q96KS0 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
PTPN11 Q06124 1/20 0.32
PTGER4 P35408 1/20 0.31
PRKDC P78527 1/20 0.31
TNKS O95271 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
AKT1 P31749 1/20 0.31
PIP4K2A P48426 1/20 0.30
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30

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
SCHEMBL22064967 0.87 PGR (0.37) PGRAREGLN1GABRA1GABRG2
SCHEMBL22065095 0.87 PGR (0.32) PGREGLN1AKT1TSHRADORA2A
SCHEMBL22065096 0.84 PGR (0.31) PGRNPC1RAB9ATSHR
SCHEMBL22065097 0.84 KDM4E (0.34) EGLN2GABRA5NPC1RAB9AAKT1
SCHEMBL22064951 0.84 PGR (0.39) PGRAREGLN2GABRA1GABRG2
SCHEMBL18959496 0.82 PGR (0.41) PGRAREGLN1EGLN2
SCHEMBL17955009 0.82 PGR (0.44) PGRAREGLN1
SCHEMBL19344995 0.80 PGR (0.48) PGRAREGLN1
SCHEMBL18959492 0.80 PGR (0.43) PGREGLN1EGLN2GABRA1GABRG2
SCHEMBL18393323 0.79 PGR (0.36) PGRAREGLN1EGLN2

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
US-20200185616-A1 ORGANIC LIGHT EMITTING DIODE AND ORGANIC LIGHT EMITTING DEVICE HAVING THE SAME LG DISPLAY CO., LTD (KR) 2020-06-11 US disclosed