SCHEMBL28047358

SCHEMBL28047358

Cn1c(=O)n(Cc2ccccc2C#N)c(=O)c2c1nc(COS(C)(=O)=O)n2Cc1ccccc1C#N

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.58
DPP4 P27487 12/20 0.49
PARG Q86W56 2/20 0.42
ALDH1A1 P00352 2/20 0.42
TSHR P16473 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
POLB P06746 2/20 0.41
TP53 P04637 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
RECQL P46063 1/20 0.41
BLM P54132 1/20 0.41
L3MBTL1 Q9Y468 1/20 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
SCHEMBL28047367 0.94 DPP4 (0.54) KMT2ADPP4ALDH1A1TSHRNPSR1
SCHEMBL28010287 0.94 KMT2A (0.52) KMT2ADPP4PARGALDH1A1TSHR
SCHEMBL28047359 0.84 KMT2A (0.65) KMT2ADPP4ALDH1A1POLBTP53
SCHEMBL28047331 0.84 KMT2A (0.65) KMT2ADPP4ALDH1A1POLBTP53
SCHEMBL28010257 0.78 KMT2A (0.57) KMT2ADPP4ALDH1A1TSHRNPSR1
SCHEMBL28047362 0.78 DPP4 (0.59) KMT2ADPP4ALDH1A1TSHRNPSR1
SCHEMBL4487837 0.74 KMT2A (0.60) KMT2ADPP4ALDH1A1TSHRMEN1
SCHEMBL4668995 0.74 LMNA (0.72) KMT2ADPP4ALDH1A1TSHRNPSR1
SCHEMBL28010254 0.73 KMT2A (0.52) KMT2ADPP4ALDH1A1TSHRNPSR1
SCHEMBL638793 0.73 KMT2A (0.59) KMT2ADPP4ALDH1A1TSHRMEN1

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
CN-103373999-B purine compound, intermediate, preparation method and application thereof SHANGHAI INSTITUTE OF PHARMACEUTICAL INDUSTRY (CN) 2016-01-13 CN disclosed