SCHEMBL28487644

SCHEMBL28487644

Cc1cc2ccc(=O)n(-c3ccccn3)c2cc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.45
MAT2A P31153 2/20 0.41
DPP4 P27487 1/20 0.41
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 6/20 0.40
MAPT P10636 2/20 0.40
POLB P06746 2/20 0.40
HTT P42858 2/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
EP300 Q09472 1/20 0.40
KAT2B Q92831 1/20 0.40
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
NOX4 Q9NPH5 1/20 0.38
NOX1 Q9Y5S8 1/20 0.38
NPC1 O15118 2/20 0.37
MEN1 O00255 1/20 0.37

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
SCHEMBL7102988 0.80 KAT2B (0.46) SMN1; SMN2MAT2ADPP4ALDH1A1KDM4E
SCHEMBL28494811 0.79 MAT2A (0.44) SMN1; SMN2MAT2ADPP4ALDH1A1KDM4E
SCHEMBL28487663 0.74 MAT2A (0.40) SMN1; SMN2MAT2ADPP4ALDH1A1KDM4E
SCHEMBL12628808 0.73 KDM4E (0.46) SMN1; SMN2DPP4ALDH1A1KDM4EMAPT
SCHEMBL28480184 0.72 ALDH1A1 (0.49) SMN1; SMN2MAT2ADPP4ALDH1A1KDM4E
SCHEMBL28683528 0.71 SMN1; SMN2 (0.49) SMN1; SMN2DPP4ALDH1A1KDM4EMAPT
SCHEMBL28470339 0.71 SMN1; SMN2 (0.45) SMN1; SMN2DPP4ALDH1A1KDM4EHTT
SCHEMBL4865308 0.70 SMN1; SMN2 (0.43) SMN1; SMN2MAT2ADPP4ALDH1A1KDM4E
SCHEMBL29387435 0.70 SMN1; SMN2 (0.43) SMN1; SMN2MAT2ADPP4ALDH1A1KDM4E
SCHEMBL28222792 0.70 MAT2A (0.40) SMN1; SMN2MAT2ADPP4ALDH1A1KDM4E

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-108191834-B Preparation method of benzo-fused N-heterocyclic compound 中山大学 2020-10-16 CN disclosed