SCHEMBL18999823

SCHEMBL18999823

Nc1c(C(=O)NN/C=C\S)sc2nc3c(c(-c4ccccc4Cl)c12)CCCC3

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.49
NPSR1 Q6W5P4 4/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
MAPT P10636 2/20 0.49
EEF2K O00418 10/20 0.49
LMNA P02545 3/20 0.48
HTT P42858 3/20 0.48
PLA2G1B P04054 1/20 0.48
ATG4B Q9Y4P1 1/20 0.48
KDM4E B2RXH2 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HPGD P15428 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
GAA P10253 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL429082 0.79 EEF2K (0.54) ALDH1A1NPSR1MEN1KMT2AMAPT
SCHEMBL1539842 0.70 ALDH1A1 (0.60) ALDH1A1NPSR1MEN1KMT2AMAPT
SCHEMBL25891578 0.69 ALDH1A1 (0.67) ALDH1A1NPSR1MEN1KMT2AMAPT
SCHEMBL21589905 0.67 ALDH1A1 (0.67) ALDH1A1NPSR1MEN1KMT2AMAPT
SCHEMBL430666 0.67 ALDH1A1 (1.00) ALDH1A1NPSR1MEN1KMT2AMAPT
SCHEMBL430508 0.64 ALDH1A1 (1.00) ALDH1A1NPSR1MEN1KMT2AMAPT
SCHEMBL13392961 0.64 ALDH1A1 (0.74) ALDH1A1NPSR1MEN1KMT2AMAPT
SCHEMBL429207 0.64 ALDH1A1 (1.00) ALDH1A1NPSR1MEN1KMT2AMAPT
SCHEMBL430534 0.63 MAPT (1.00) ALDH1A1NPSR1MEN1KMT2AMAPT
SCHEMBL14955168 0.63 MAPT (0.84) ALDH1A1NPSR1MEN1KMT2AMAPT

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
EP-3181568-A1 THIENOPYRIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS Siga Technologies, Inc. (US) 2017-06-21 EP disclosed