SCHEMBL25586136

SCHEMBL25586136

Cn1c2ccc(C#N)cc2c2cc(C(C)(C)C)ccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.49
CSNK1D P48730 6/20 0.41
CSNK1G2 P78368 5/20 0.41
CSNK1A1 P48729 1/20 0.41
GSK3B P49841 1/20 0.41
HTR1D P28221 1/20 0.40
EGFR P00533 1/20 0.40
SRC P12931 1/20 0.40
CCR9 P51686 1/20 0.40
CYP19A1 P11511 2/20 0.39
BRD1 O95696 1/20 0.37
BRPF1 P55201 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PGR P06401 1/20 0.37
RORA P35398 1/20 0.37
RORC P51449 1/20 0.37
RORB Q92753 1/20 0.37
SLC6A4 P31645 1/20 0.36
CYP11B2 P19099 1/20 0.36
EPHX2 P34913 1/20 0.35

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
SCHEMBL6363289 0.88 EGFR (0.46) EGFRSRCBRD1BRPF1L3MBTL1
SCHEMBL29858321 0.88 EGFR (0.46) EGFRSRCBRD1BRPF1L3MBTL1
SCHEMBL2604384 0.84 HTR1D (0.50) KIF11HTR1DL3MBTL1PGRRORA
SCHEMBL11807938 0.81 EGFR (0.42) KIF11EGFRSRCBRD1BRPF1
SCHEMBL17424686 0.80 KIF11 (0.42) KIF11CSNK1DCSNK1G2CSNK1A1GSK3B
SCHEMBL12611168 0.80 HTR1D (0.47) KIF11HTR1DL3MBTL1PGRRORA
Benzene SCHEMBL28231296 0.80 HTR1D (0.47) KIF11HTR1DL3MBTL1PGRRORA
SCHEMBL18361007 0.80 KIF11 (0.45) KIF11CSNK1DCSNK1G2CSNK1A1GSK3B
SCHEMBL18055752 0.79 ALDH1A1 (0.47) EGFRSRCBRD1BRPF1SLC6A4
SCHEMBL9103614 0.79 GPR3 (0.57) KIF11EGFRSRCL3MBTL1RORC

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230165131-A1 LIGHT EMITTING ELEMENT SAMSUNG DISPLAY CO., LTD. (KR) 2023-05-25 US disclosed
US-20230165131-A1 LIGHT EMITTING ELEMENT SAMSUNG DISPLAY CO., LTD. (KR) 2023-05-25 US disclosed