SCHEMBL28320772

SCHEMBL28320772

Clc1ccc(-c2ccnc(-c3ccccc3)n2)cc1Cl

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 4/20 0.61
MAPT P10636 8/20 0.56
KMT2A Q03164 6/20 0.56
MEN1 O00255 5/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
KDM4E B2RXH2 3/20 0.56
NPC1 O15118 3/20 0.56
RAB9A P51151 3/20 0.56
POLB P06746 1/20 0.56
SMO Q99835 2/20 0.51
NPSR1 Q6W5P4 2/20 0.50
LMNA P02545 1/20 0.50
PIK3CA P42336 2/20 0.49
PIK3CB P42338 2/20 0.49
PIK3CG P48736 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
TP53 P04637 1/20 0.48
MAPK1 P28482 1/20 0.48
GABRA1 P14867 1/20 0.48
GABRG2 P18507 1/20 0.48

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
SCHEMBL28537366 0.81 KMO (0.63) KMOMAPTKMT2AMEN1SMN1; SMN2
SCHEMBL18134297 0.81 KMT2A (0.60) KMOMAPTKMT2AMEN1SMN1; SMN2
SCHEMBL28319645 0.81 KMT2A (0.72) KMOMAPTKMT2AMEN1SMN1; SMN2
SCHEMBL28320796 0.81 KMT2A (0.72) KMOMAPTKMT2AMEN1SMN1; SMN2
SCHEMBL29730468 0.80 KMT2A (0.61) MAPTKMT2AMEN1SMN1; SMN2KDM4E
SCHEMBL21003801 0.80 KMT2A (0.61) MAPTKMT2AMEN1SMN1; SMN2KDM4E
SCHEMBL18731741 0.80 KMT2A (0.61) MAPTKMT2AMEN1SMN1; SMN2KDM4E
SCHEMBL18732403 0.80 KMT2A (0.61) MAPTKMT2AMEN1SMN1; SMN2KDM4E
SCHEMBL190954 0.80 AURKA (0.63) MAPTKMT2AMEN1SMN1; SMN2KDM4E
SCHEMBL29620532 0.80 AURKA (0.63) MAPTKMT2AMEN1SMN1; SMN2KDM4E

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-106496127-B A kind of preparation method of polysubstituted pyrimidine 苏州大学 2019-09-27 CN disclosed