SCHEMBL28497045

SCHEMBL28497045

Cc1ccc(Br)c(N(C)c2ccccc2Cl)n1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 1/20 0.33
▸ PIM2 Q9P1W9 1/20 0.33
▸ AURKA O14965 1/20 0.33
▸ HSD11B1 P28845 1/20 0.33
▸ GRM5 P41594 1/20 0.33
▸ S1PR4 O95977 2/20 0.32
▸ GPBAR1 Q8TDU6 1/20 0.32
▸ ADORA1 P30542 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CRHR1 P34998 1/20 0.31
▸ IGF1R P08069 1/20 0.31

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
SCHEMBL30474652 1.00 PIM1 (0.33) PIM1PIM2AURKAHSD11B1GRM5
SCHEMBL17425822 0.72 CCR1 (0.37) S1PR4MAPTCYP1A2
SCHEMBL29556362 0.64 POLB (0.44) AURKA
SCHEMBL4572683 0.64 POLB (0.44) AURKA
SCHEMBL26281357 0.64 MEN1 (0.38) S1PR4ADORA1MAPTCYP1A2
SCHEMBL31645611 0.63 — —
SCHEMBL1347449 0.63 — —
SCHEMBL28597260 0.63 POLB (0.43) AURKA
SCHEMBL2314697 0.62 TSHR (0.47) MAPT
SCHEMBL578026 0.62 — —

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
CN-111655704-B Compound and organic light emitting device comprising the same 株式会社LG化学 2023-06-09 — — CN disclosed
CN-111655704-A Compound and organic light emitting device including the same 株式会社LG化学 2020-09-11 — — CN disclosed
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