SCHEMBL22700445

SCHEMBL22700445

c1ccc(-c2nc(-c3ccc4c(c3)sc3c(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cccc34)nc(-c3cccc4c3sc3ccccc34)n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.50
LIMK1 P53667 4/20 0.39
PARP14 Q460N5 1/20 0.39
PRKDC P78527 4/20 0.38
TNKS O95271 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38
F9 P00740 1/20 0.38
MAPT P10636 4/20 0.38
ALDH1A1 P00352 3/20 0.36
HPGD P15428 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
RAB9A P51151 1/20 0.36
ADORA2A P29274 2/20 0.36
ADORA1 P30542 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
PIK3CD O00329 1/20 0.35
PIK3CB P42338 1/20 0.35
TSHR P16473 2/20 0.35
ADORA3 P0DMS8 1/20 0.35

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
SCHEMBL22329422 1.00 ALOX5 (0.50) ALOX5LIMK1PARP14PRKDCTNKS
SCHEMBL23349570 0.99 ALOX5 (0.49) ALOX5LIMK1PARP14PRKDCTNKS
SCHEMBL22329392 0.97 ALOX5 (0.46) ALOX5LIMK1PARP14PRKDCMAPT
SCHEMBL22135476 0.96 ALOX5 (0.47) ALOX5LIMK1PARP14PRKDCTNKS
SCHEMBL23349586 0.96 ALOX5 (0.53) ALOX5LIMK1PARP14PRKDCTNKS
SCHEMBL23349607 0.96 ALOX5 (0.53) ALOX5LIMK1PARP14PRKDCTNKS
SCHEMBL26177934 0.96 ALOX5 (0.47) ALOX5LIMK1PARP14PRKDCTNKS
SCHEMBL25645995 0.96 ALOX5 (0.47) ALOX5LIMK1PARP14PRKDCTNKS
SCHEMBL23349591 0.96 ALOX5 (0.56) ALOX5LIMK1PARP14PRKDCTNKS
SCHEMBL26724974 0.96 ALOX5 (0.49) ALOX5LIMK1PARP14PRKDCTNKS

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-2020235976-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME 주식회사 엘지화학 (KR) 2020-11-26 WO disclosed