SCHEMBL16264348

SCHEMBL16264348

NC(=O)c1ccsc1NC(=O)c1ccnc(N)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 5/20 0.60
FLT3 P36888 1/20 0.58
RAB9A P51151 7/20 0.57
MAPT P10636 6/20 0.57
NPC1 O15118 5/20 0.57
SMN1; SMN2 Q16637 5/20 0.57
KMT2A Q03164 4/20 0.57
MEN1 O00255 3/20 0.57
LMNA P02545 1/20 0.57
NFKB1 P19838 1/20 0.57
NFKB2 Q00653 1/20 0.57
RELA Q04206 1/20 0.57
MAPK10 P53779 6/20 0.52
ALDH1A1 P00352 5/20 0.52
PTK2 Q05397 1/20 0.51
NPSR1 Q6W5P4 3/20 0.51
POLB P06746 2/20 0.51
HPGD P15428 2/20 0.51
TP53 P04637 2/20 0.51
MAPK1 P28482 1/20 0.51

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
SCHEMBL16264515 0.81 CYP2C9 (0.60) MAPK8FLT3RAB9AMAPTNPC1
SCHEMBL2155229 0.75 MAPK8 (0.70) MAPK8FLT3RAB9AMAPTNPC1
SCHEMBL13789353 0.73 MAPK8 (0.73) MAPK8FLT3RAB9AMAPTNPC1
SCHEMBL1680689 0.71 PTK2 (0.73) MAPK8RAB9AMAPTNPC1SMN1; SMN2
SCHEMBL446809 0.71 GABRP (0.70) MAPTSMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL24489080 0.70 MAPK8 (0.59) MAPK8FLT3RAB9AMAPTNPC1
SCHEMBL28679510 0.70 MAPK8 (0.63) MAPK8FLT3RAB9AMAPTNPC1
SCHEMBL16264394 0.70 MAPK10 (0.57) FLT3RAB9AMAPTNPC1SMN1; SMN2
SCHEMBL11946878 0.70 PTK2 (0.71) MAPK8RAB9AMAPTNPC1SMN1; SMN2
SCHEMBL13270043 0.70 PTK2 (0.71) MAPK8RAB9AMAPTNPC1SMN1; SMN2

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
WO-2014190199-A1 COMPOUNDS FOR TREATMENT OF DRUG RESISTANT AND PERSISTENT TUBERCULOSIS THE CALIFORNIA INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2014-11-27 WO disclosed