SCHEMBL5796829

SCHEMBL5796829

O=c1c(I)cn(Cc2ccccc2)c(=O)n1Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2D6 P10635 1/20 0.52
TSHR P16473 1/20 0.52
CYP2C19 P33261 1/20 0.52
GSK3A P49840 3/20 0.44
GSK3B P49841 3/20 0.44
MAPK8 P45983 1/20 0.44
MAPK9 P45984 1/20 0.44
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
MAPK14 Q16539 1/20 0.42
CCNB2 O95067 1/20 0.41
CDK1 P06493 1/20 0.41
CCNB1 P14635 1/20 0.41
CCNB3 Q8WWL7 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
P2RX4 Q99571 1/20 0.41
PGR P06401 1/20 0.41
KDM4E B2RXH2 2/20 0.41

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
SCHEMBL13918020 0.80 L3MBTL1 (0.52) L3MBTL1GSK3AGSK3BMAPK8MAPK9
SCHEMBL6449253 0.80 L3MBTL1 (0.52) L3MBTL1GSK3AGSK3BMAPK8MAPK9
SCHEMBL7822161 0.80 L3MBTL1 (0.56) L3MBTL1MAPK8MAPK9KMT2AMEN1
SCHEMBL5812520 0.80 L3MBTL1 (0.52) L3MBTL1GSK3AGSK3BMAPK8MAPK9
SCHEMBL5616888 0.78 L3MBTL1 (0.50) L3MBTL1CYP1A2CYP2D6CYP2C19GSK3A
SCHEMBL9061909 0.76 L3MBTL1 (0.52) L3MBTL1TSHRGSK3AGSK3BMAPK8
SCHEMBL5798294 0.76 KMT2A (0.44) L3MBTL1CYP1A2CYP2D6TSHRCYP2C19
SCHEMBL4358141 0.75 L3MBTL1 (0.85) L3MBTL1TSHRKMT2AMEN1MAPT
SCHEMBL7837583 0.75 ALDH1A1 (0.56) L3MBTL1CYP1A2CYP2D6TSHRCYP2C19
SCHEMBL29809329 0.75 ALDH1A1 (0.55) CYP1A2CYP2D6CYP2C19KMT2AMEN1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-8325238-A None JP disclosed
CN-111909100-B Method for preparing uracil and thymine derivatives 武汉大学 2022-03-04 CN disclosed
CN-111909100-A Method for efficiently preparing uracil and thymine derivatives 武汉大学 2020-11-10 CN disclosed
CN-102838549-A New class of 1,5,6-substituted pyrimidine derivatives with anti-HIV virus effects UNIV BEIJING 2012-12-26 CN disclosed
CN-101016265-A Preparation of HIV-1 reverse transcriptase inhibitor and application thereof UNIV CAPITAL MEDICAL SCIENCES (CN) 2007-08-15 CN disclosed
WO-2006070292-A2 PYRIMIDINE COMPOUNDS AS ANTI-ICTOGENIC AND/OR ANTI-EPILEPTOGENIC AGENTS QUEEN'S UNIVERSITY AT KINGSTON (US) 2006-07-06 WO disclosed
JP-H08325238-A 5-TRIFLUOROMETHYLURACIL DERIVATIVE AND ITS PRODUCTION ASAHI GLASS CO LTD 1996-12-10 JP disclosed