Sugi Predict

Sugi Predict / Compounds / SCHEMBL23770501

SCHEMBL23770501

SCHEMBL23770501

CC1(C)c2ccccc2-c2c(-c3nc(-c4ccc(-c5cccc6c5sc5ccc(-c7cccc(-c8cccc(-c9cccc(-c%10nc(-c%11ccc(-c%12cccc%13c%12sc%12ccccc%12%13)cc%11)nc(-c%11cccc%12c%11-c%11ccccc%11C%12(C)C)n%10)c9)c8)c7)cc56)cc4)nc(-c4cccc(-c5ccc(-c6ccccc6)cc5)c4)n3)cccc21

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.39
▸ LIMK1 P53667 1/20 0.33
▸ PIM3 Q86V86 2/20 0.32
▸ PIM1 P11309 1/20 0.32
▸ PIM2 Q9P1W9 1/20 0.32
▸ SLC9A1 P19634 2/20 0.32
▸ PARP14 Q460N5 1/20 0.31
▸ F9 P00740 1/20 0.30
▸ ROCK1 Q13464 1/20 0.30
▸ PRKDC P78527 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
SCHEMBL23770476 0.97 ALOX5 (0.41) ALOX5LIMK1SLC9A1PARP14F9
SCHEMBL23770421 0.97 ALOX5 (0.41) ALOX5LIMK1SLC9A1PARP14F9
SCHEMBL23770308 0.97 ALOX5 (0.41) ALOX5LIMK1SLC9A1PARP14F9
SCHEMBL25144939 0.97 ALOX5 (0.41) ALOX5LIMK1SLC9A1PARP14F9
SCHEMBL25144938 0.97 ALOX5 (0.41) ALOX5LIMK1SLC9A1PARP14F9
SCHEMBL23770482 0.95 ALOX5 (0.43) ALOX5LIMK1SLC9A1PARP14PRKDC
SCHEMBL23770483 0.94 ALOX5 (0.44) ALOX5LIMK1PIM3PIM1PIM2
SCHEMBL23770468 0.94 ALOX5 (0.44) ALOX5SLC9A1PARP14F9PRKDC
SCHEMBL23770503 0.93 ALOX5 (0.41) ALOX5LIMK1SLC9A1PARP14F9
SCHEMBL23770420 0.93 ALOX5 (0.41) ALOX5LIMK1SLC9A1PARP14F9

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
WO-2021162122-A1 COMPOUND, MATERIAL FOR AN ORGANIC ELECTROLUMINESCENCE DEVICE AND AN ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THE COMPOUND IDEMITSU KOSAN CO., LTD. (JP) 2021-08-19 — — WO disclosed