SCHEMBL22064951

SCHEMBL22064951

CC1(C)c2ccccc2N(c2ccccc2-c2ncc(C#N)cc2C#N)c2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 4/20 0.39
GABRA1 P14867 4/20 0.35
GABRG2 P18507 4/20 0.35
GABRB3 P28472 4/20 0.35
GABRA2 P47869 4/20 0.35
GABRA5 P31644 2/20 0.35
GABRA3 P34903 2/20 0.35
EGLN2 Q96KS0 1/20 0.33
AR P10275 1/20 0.32
PTGER4 P35408 1/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
KDM4E B2RXH2 1/20 0.31
CRHBP P24387 1/20 0.30
HTT P42858 1/20 0.30
CRHR2 Q13324 1/20 0.30
KEAP1 Q14145 1/20 0.30
NFE2L2 Q16236 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
SCHEMBL22064946 0.88 PGR (0.32) PGRGABRA1GABRG2GABRB3GABRA2
SCHEMBL22065083 0.86 NPSR1 (0.34) PGREGLN2
SCHEMBL22064973 0.84 PGR (0.40) PGRGABRA1GABRG2GABRB3GABRA2
SCHEMBL22065081 0.83 USP8 (0.30)
SCHEMBL22065084 0.83 CNR1 (0.32) EGLN2PTGER4MEN1KMT2ACNR1
SCHEMBL21927300 0.81 ALDH1A1 (0.39) PGRARMEN1KMT2ACNR2
SCHEMBL21927294 0.79 PGR (0.44) PGREGLN2MEN1KMT2AKDM4E
SCHEMBL21927963 0.78 P4HTM (0.39) PGR
SCHEMBL21928001 0.77 PGR (0.40) PGREGLN2MEN1KMT2AKDM4E
SCHEMBL21922080 0.77 HTT (0.38) PGRARMEN1KMT2ACNR2

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