SCHEMBL20648656

SCHEMBL20648656

Cn1ccc(NC(=O)c2ccc(NC(=O)C(C)(N)CO)cc2)nc1=O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.39
RAB9A P51151 6/20 0.39
POLB P06746 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
GFER P55789 1/20 0.38
ABL1 P00519 1/20 0.37
RIN1 Q13671 1/20 0.37
MAP3K5 Q99683 6/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 1/20 0.36
EPHX2 P34913 1/20 0.36
NR1H4 Q96RI1 1/20 0.36

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
SCHEMBL20648776 0.89 MAP3K5 (0.39) NPC1RAB9APOLBTDP1SMN1; SMN2
SCHEMBL20649215 0.88 MAP3K5 (0.46) NPC1RAB9APOLBTDP1SMN1; SMN2
SCHEMBL20648884 0.85 MAP3K5 (0.37) NPC1RAB9APOLBTDP1SMN1; SMN2
SCHEMBL20648874 0.83 MAP3K5 (0.35) NPC1RAB9APOLBTDP1SMN1; SMN2
SCHEMBL20648914 0.83 MAP3K5 (0.35) NPC1RAB9APOLBTDP1SMN1; SMN2
SCHEMBL20648885 0.83 MAP3K5 (0.36) NPC1RAB9APOLBTDP1SMN1; SMN2
SCHEMBL20648879 0.83 MAP3K5 (0.36) NPC1RAB9APOLBTDP1SMN1; SMN2
SCHEMBL20648883 0.82 MAP3K5 (0.36) NPC1RAB9APOLBTDP1SMN1; SMN2
SCHEMBL20649245 0.82 MAP3K5 (0.36) NPC1RAB9APOLBTDP1SMN1; SMN2
SCHEMBL20648878 0.81 TP53 (0.34) POLBTDP1SMN1; SMN2ALDH1A1HPGD

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
WO-2019013789-A1 ANTIMICROBIAL COMPOUNDS CURZA GLOBAL, LLC (US) 2019-01-17 WO disclosed
WO-2019013790-A1 ANTIMICROBIAL COMPOUNDS AND USES THEREOF CURZA GLOBAL, LLC (US) 2019-01-17 WO disclosed