SCHEMBL9465321

SCHEMBL9465321

CC(=O)NC(C)C(=O)Nc1cccc2cccnc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.62
TDP1 Q9NUW8 2/20 0.62
MAPT P10636 4/20 0.56
TP53 P04637 2/20 0.56
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
CASP3 P42574 1/20 0.54
SENP8 Q96LD8 1/20 0.54
SENP7 Q9BQF6 1/20 0.54
SLC40A1 Q9NP59 2/20 0.54
KDR P35968 2/20 0.53
KDM4E B2RXH2 2/20 0.53
MAPK1 P28482 1/20 0.52
MECP2 P51608 1/20 0.52
HDAC6 Q9UBN7 1/20 0.51
RECQL P46063 1/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
ALDH1A1 P00352 1/20 0.50

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
SCHEMBL9465336 1.00 POLB (0.62) POLBTDP1MAPTTP53MEN1
SCHEMBL19977039 0.85 KDR (0.70) POLBTDP1MAPTTP53MEN1
SCHEMBL29152858 0.84 SLC40A1 (0.70) POLBTDP1MAPTTP53MEN1
SCHEMBL5053488 0.82 TDP1 (0.71) POLBTDP1MAPTTP53MEN1
SCHEMBL29918706 0.82 TDP1 (0.71) POLBTDP1MAPTTP53MEN1
SCHEMBL14360891 0.80 TDP1 (0.63) POLBTDP1MAPTTP53MEN1
SCHEMBL28750659 0.80 TDP1 (0.63) POLBTDP1MAPTTP53MEN1
SCHEMBL28750660 0.80 TDP1 (0.63) POLBTDP1MAPTTP53MEN1
SCHEMBL9464447 0.79 HDAC1 (0.55) POLBTDP1MAPTMEN1KMT2A
SCHEMBL9464437 0.79 HDAC1 (0.55) POLBTDP1MAPTMEN1KMT2A

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
US-5182398-A α-Amino acid diamide and use thereof as cupric ion-transporting ionophore DIRECTOR-GENERAL OF AGENCY OF INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 1993-01-26 US claimed
US-5182398-A α-Amino acid diamide and use thereof as cupric ion-transporting ionophore DIRECTOR-GENERAL OF AGENCY OF INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 1993-01-26 US disclosed