SCHEMBL22797299

SCHEMBL22797299

O=C1c2cccc(-c3ccc(-c4ccccc4)cc3)c2CCc2c1cccc2-c1ccc(-c2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.56
PARP11 Q9NR21 1/20 0.56
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
APAF1 O14727 1/20 0.46
NPC1 O15118 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
THRB P10828 1/20 0.46
XBP1 P17861 1/20 0.46
PTBP1 P26599 1/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.46
GALK1 P51570 1/20 0.46
BLM P54132 1/20 0.46
SMAD3 P84022 1/20 0.46
ATM Q13315 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL22797537 0.82 L3MBTL1 (0.46) PARP10PARP11MEN1KMT2AAPAF1
SCHEMBL7179331 0.82 PARP10 (0.58) PARP10PARP11MEN1KMT2ANPC1
SCHEMBL11830827 0.78 PRCP (0.58) PARP10PARP11ANPEPIL1RNERAP2
SCHEMBL15481626 0.76 ALDH1A1 (0.54) PARP10PARP11NPC1RAB9ASMN1; SMN2
Anthraquinone SCHEMBL27283959 0.75 MEN1 (0.75) MEN1KMT2AAPAF1NPC1LMNA
SCHEMBL23273185 0.74 PARP10 (0.54) PARP10PARP11MEN1KMT2ALMNA
SCHEMBL7587251 0.74 PARP10 (0.54) PARP10PARP11MEN1KMT2ALMNA
SCHEMBL16406400 0.74 PARP10 (0.50) PARP10PARP11MEN1KMT2AAPAF1
SCHEMBL19001856 0.73 L3MBTL1 (0.52) MEN1KMT2AAPAF1NPC1LMNA
SCHEMBL22261555 0.73 MIF (0.42) PARP10PARP11MEN1KMT2AANPEP

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-2020248943-A1 NITROGEN-CONTAINING COMPOUND, ELECTRONIC COMPONENT AND ELECTRONIC DEVICE 陕西莱特光电材料股份有限公司 2020-12-17 WO disclosed