SCHEMBL28284428

SCHEMBL28284428

NC(=O)c1cccnc1Nc1cccc(CO)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.68
ALDH1A1 P00352 7/20 0.62
MAPT P10636 6/20 0.62
MEN1 O00255 5/20 0.62
KMT2A Q03164 5/20 0.62
RAB9A P51151 4/20 0.62
NPC1 O15118 3/20 0.62
KCNH2 Q12809 1/20 0.62
SMN1; SMN2 Q16637 4/20 0.58
AHR P35869 1/20 0.58
SIRT1 Q96EB6 2/20 0.51
AURKA O14965 3/20 0.50
AURKB Q96GD4 3/20 0.50
DHODH Q02127 2/20 0.50
HTT P42858 2/20 0.50
RPS6KB1 P23443 2/20 0.50
POLB P06746 2/20 0.49
PKM P14618 2/20 0.49
MAPK1 P28482 1/20 0.49
GMNN O75496 1/20 0.49

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
SCHEMBL28875139 0.85 LMNA (0.62) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL28282946 0.82 LMNA (0.73) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL5083062 0.81 RAB9A (0.72) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL5255345 0.81 LMNA (0.71) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL28309786 0.81 LMNA (0.71) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL29898238 0.81 LMNA (0.71) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL9496511 0.81 LMNA (1.00) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL28949487 0.81 LMNA (0.71) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL2714471 0.80 LMNA (0.70) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL479805 0.80 DHODH (0.76) LMNAALDH1A1MAPTMEN1KMT2A

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-106061967-B The nicotinamide compounds replaced through heteroaryl 百时美施贵宝公司 2019-04-19 CN claimed