SCHEMBL28609798

SCHEMBL28609798

Clc1cc(Cl)nc(Sc2nc3ccccc3o2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.50
LMNA P02545 6/20 0.50
KMT2A Q03164 6/20 0.50
HTT P42858 4/20 0.50
MAPK1 P28482 4/20 0.50
TDP1 Q9NUW8 3/20 0.50
L3MBTL1 Q9Y468 3/20 0.50
DDAH1 O94760 1/20 0.50
ADRA2C P18825 1/20 0.50
RAB9A P51151 7/20 0.47
NPC1 O15118 4/20 0.47
ALDH1A1 P00352 6/20 0.47
POLB P06746 2/20 0.47
GFER P55789 2/20 0.47
MEN1 O00255 3/20 0.45
HPGD P15428 3/20 0.45
NPSR1 Q6W5P4 3/20 0.45
XBP1 P17861 2/20 0.45
HSP90AA1 P07900 1/20 0.45
RECQL P46063 1/20 0.45

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
SCHEMBL28609590 0.84 L3MBTL1 (0.52) MAPTLMNAKMT2AHTTMAPK1
SCHEMBL29594002 0.83 MAPT (0.50) MAPTLMNAKMT2AHTTMAPK1
SCHEMBL28607232 0.83 MAPT (0.50) MAPTLMNAKMT2AHTTMAPK1
SCHEMBL28366757 0.80 DDAH1 (0.59) MAPTLMNAKMT2AHTTMAPK1
SCHEMBL28598380 0.80 KDM4E (0.46) MAPTLMNAKMT2AHTTMAPK1
SCHEMBL28597642 0.80 LMNA (0.38) MAPTLMNAKMT2AHTTMAPK1
SCHEMBL28597503 0.80 RAB9A (0.45) MAPTLMNAKMT2AMAPK1TDP1
SCHEMBL28597499 0.80 MAPT (0.40) MAPTLMNAKMT2AHTTMAPK1
SCHEMBL29593098 0.80 LMNA (0.38) MAPTLMNAKMT2AHTTMAPK1
SCHEMBL29593143 0.80 RAB9A (0.45) MAPTLMNAKMT2AMAPK1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113185511-B Pyrimidine compound and preparation method and application thereof 中国医学科学院医药生物技术研究所 2022-04-26 CN disclosed
CN-113185511-A Pyrimidine compound and preparation method and application thereof 中国医学科学院医药生物技术研究所 2021-07-30 CN disclosed