SCHEMBL22989051

SCHEMBL22989051

Clc1ccc(-c2nc(-c3cccc4c3sc3ccccc34)c3sc4ccccc4c3n2)c2ccccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.38
▸ PARP14 Q460N5 1/20 0.36
▸ PRKDC P78527 4/20 0.34
▸ CCNC P24863 1/20 0.33
▸ CDK8 P49336 1/20 0.33
▸ PIK3CD O00329 1/20 0.33
▸ PIK3CB P42338 1/20 0.33
▸ HRH4 Q9H3N8 1/20 0.33
▸ LIMK1 P53667 1/20 0.33
▸ CDK5 Q00535 1/20 0.33
▸ CDK5R1 Q15078 1/20 0.33
▸ MAPT P10636 3/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2A6 P11509 1/20 0.32
▸ PIM1 P11309 1/20 0.32
▸ PIM2 Q9P1W9 1/20 0.32

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
SCHEMBL22989232 0.85 TNKS (0.35) HRH4LIMK1CDK5CDK5R1MAPT
SCHEMBL22988990 0.84 RXFP1 (0.38) ALOX5HRH4LIMK1CDK5CDK5R1
SCHEMBL22989181 0.83 PIM1 (0.39) ALOX5PARP14PRKDCPIK3CDPIK3CB
SCHEMBL22989048 0.83 TNKS (0.36) HRH4LIMK1CDK5CDK5R1MAPT
SCHEMBL21515320 0.82 ALOX5 (0.39) ALOX5PARP14PRKDCPIK3CDPIK3CB
SCHEMBL17297520 0.82 ALOX5 (0.43) ALOX5PARP14PRKDCCCNCCDK8
SCHEMBL21795119 0.78 PARP14 (0.49) ALOX5PARP14PRKDCCCNCCDK8
SCHEMBL22792565 0.78 ALOX5 (0.40) ALOX5PARP14PRKDCPIK3CDPIK3CB
SCHEMBL18273103 0.78 ALOX5 (0.43) ALOX5PARP14PRKDCPIK3CDPIK3CB
SCHEMBL25018087 0.78 ALOX5 (0.38) ALOX5PARP14PRKDCPIK3CDPIK3CB

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-2021029757-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME 주식회사 엘지화학 2021-02-18 — — WO disclosed
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