Sugi Predict

Sugi Predict / Compounds / SCHEMBL22701796

SCHEMBL22701796

SCHEMBL22701796

c1ccc(-c2cccc(-c3ccc4sc5c(-c6ccc(-c7nc(-c8ccccc8)nc(-n8c9ccccc9c9ccc(-c%10ccccc%10)cc98)n7)cc6)cccc5c4c3)c2)cc1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.37
▸ LIMK1 P53667 3/20 0.35
▸ PIM3 Q86V86 3/20 0.33
▸ PIM1 P11309 3/20 0.32
▸ PIM2 Q9P1W9 3/20 0.32
▸ PRKDC P78527 1/20 0.32
▸ F9 P00740 1/20 0.31
▸ ROCK1 Q13464 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
SCHEMBL22701793 0.97 ALOX5 (0.39) ALOX5LIMK1PIM3PIM1PIM2
SCHEMBL22701813 0.97 ALOX5 (0.39) ALOX5LIMK1PIM3PIM1PIM2
SCHEMBL24301326 0.97 ALOX5 (0.40) ALOX5LIMK1PIM3PIM1PIM2
SCHEMBL22845410 0.97 ALOX5 (0.39) ALOX5LIMK1PIM3PIM1PIM2
SCHEMBL22701865 0.96 LIMK1 (0.35) ALOX5LIMK1PIM3PIM1PIM2
SCHEMBL22701854 0.95 LIMK1 (0.36) ALOX5LIMK1PIM3PIM1PIM2
SCHEMBL22701792 0.95 ALOX5 (0.38) ALOX5LIMK1PIM3PIM1PIM2
SCHEMBL22845386 0.95 ALOX5 (0.42) ALOX5LIMK1PIM3PIM1PIM2
SCHEMBL22329623 0.94 LIMK1 (0.35) ALOX5LIMK1PIM3PIM1PIM2
SCHEMBL22845440 0.94 ALOX5 (0.44) ALOX5LIMK1PIM3PRKDCF9

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-2020235955-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING SAME 주식회사 엘지화학 (KR) 2020-11-26 — — WO disclosed