SCHEMBL21625844

SCHEMBL21625844

CC(C)(C)c1ccc(Nc2cccc3c2CCCC3)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 1/20 0.53
NISCH Q9Y2I1 1/20 0.45
ALDH1A1 P00352 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 2/20 0.43
THRA P10827 1/20 0.43
THRB P10828 1/20 0.43
KDM4E B2RXH2 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TEAD1 P28347 1/20 0.41
TEAD4 Q15561 1/20 0.41
TEAD2 Q15562 1/20 0.41
KCNK2 O95069 1/20 0.41
KCNK10 P57789 1/20 0.41
KCNK18 Q7Z418 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
SHMT2 P34897 1/20 0.41
MAPK14 Q16539 1/20 0.41
NPSR1 Q6W5P4 2/20 0.40

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
SCHEMBL8633085 0.83 ALDH1A1 (0.58) CCR4NISCHALDH1A1MEN1KMT2A
SCHEMBL30505569 0.80 MEN1 (0.50) CCR4NISCHALDH1A1MEN1KMT2A
SCHEMBL3428962 0.80 MEN1 (0.50) CCR4NISCHALDH1A1MEN1KMT2A
SCHEMBL3478127 0.80 EGFR (0.53) CCR4NISCHALDH1A1MEN1KMT2A
SCHEMBL19985759 0.78 CCR4 (0.47) CCR4NISCHALDH1A1MEN1KMT2A
SCHEMBL12101466 0.78 MEN1 (0.56) CCR4NISCHALDH1A1MEN1KMT2A
SCHEMBL1010818 0.77 TRPV1 (0.40) CCR4ALDH1A1MEN1KMT2ALMNA
SCHEMBL7300382 0.77 L3MBTL1 (0.67) ALDH1A1MEN1KMT2ALMNATHRA
SCHEMBL12377131 0.77 NISCH (0.51) CCR4NISCHALDH1A1MEN1KMT2A
SCHEMBL21625850 0.76 RAPGEF4 (0.47) CCR4NISCHALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111372938-B Polycyclic compound and organic light emitting device including the same 株式会社LG化学 2023-08-08 CN disclosed
CN-111372938-A Polycyclic compound and organic light emitting device including the same 株式会社LG化学 2020-07-03 CN disclosed
WO-2020017931-A1 POLYCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2020-01-23 WO disclosed