SCHEMBL22701871

SCHEMBL22701871

c1ccc(-c2ccc(-c3ccc4sc5c(-c6ccc(-c7nc(-c8ccccc8)nc(-c8ccc9sc%10ccccc%10c9c8)n7)cc6)cccc5c4c3)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.50
LIMK1 P53667 4/20 0.41
PIM3 Q86V86 2/20 0.41
PIM1 P11309 2/20 0.37
PIM2 Q9P1W9 2/20 0.37
PRKDC P78527 2/20 0.36
PARP14 Q460N5 1/20 0.36
TNKS O95271 1/20 0.36
TNKS2 Q9H2K2 1/20 0.36
F9 P00740 1/20 0.36
MAPT P10636 1/20 0.35
CYP1A2 P05177 1/20 0.35
SLC9A1 P19634 1/20 0.35
ROCK1 Q13464 1/20 0.35
GPR3 P46089 1/20 0.35
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
PIK3CD O00329 1/20 0.34
PIK3CB P42338 1/20 0.34

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
SCHEMBL22701826 0.99 ALOX5 (0.49) ALOX5LIMK1PIM3PIM1PIM2
SCHEMBL20706102 0.99 ALOX5 (0.51) ALOX5LIMK1PIM3PIM1PIM2
SCHEMBL15501745 0.99 ALOX5 (0.51) ALOX5LIMK1PIM3PIM1PIM2
SCHEMBL25851923 0.96 ALOX5 (0.47) ALOX5LIMK1PIM3PIM1PIM2
SCHEMBL22701804 0.96 ALOX5 (0.47) ALOX5LIMK1PIM3PIM1PIM2
SCHEMBL22701818 0.96 ALOX5 (0.52) ALOX5LIMK1PIM3PIM1PIM2
SCHEMBL24217020 0.96 ALOX5 (0.54) ALOX5LIMK1PIM3PIM1PIM2
SCHEMBL22701839 0.95 ALOX5 (0.46) ALOX5LIMK1PIM3PIM1PIM2
SCHEMBL25851928 0.95 ALOX5 (0.46) ALOX5LIMK1PIM3PIM1PIM2
SCHEMBL22701833 0.95 ALOX5 (0.47) ALOX5LIMK1PIM3PIM1PIM2

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