SCHEMBL8715964

SCHEMBL8715964

CCNC(=O)c1c([N+](=O)[O-])ccc2[nH]c(S)nc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.35
HTT P42858 2/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
KDM5A P29375 1/20 0.35
CTSB P07858 2/20 0.35
MAPT P10636 3/20 0.35
GAA P10253 3/20 0.35
POLB P06746 2/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
HSP90AA1 P07900 1/20 0.35
PKM P14618 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
ALOX15 P16050 1/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PARP1 P09874 1/20 0.32

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
SCHEMBL8712843 0.75 MAPK8 (0.42) SMN1; SMN2HTTALDH1A1MAPTGAA
Diethylamine SCHEMBL10530301 0.68 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1POLBMEN1LMNA
SCHEMBL8663375 0.68 PKN1 (0.58) SMN1; SMN2ALDH1A1KDM4EMAPTGAA
SCHEMBL7219537 0.68 MEN1 (0.44) SMN1; SMN2HTTALDH1A1MAPTGAA
SCHEMBL29241631 0.66 ALDH1A1 (0.41) SMN1; SMN2HTTALDH1A1MAPTGAA
SCHEMBL30739950 0.66 TDP1 (0.49) SMN1; SMN2HTTALDH1A1MAPTGAA
SCHEMBL25808876 0.66 PKMYT1 (0.41) SMN1; SMN2ALDH1A1KDM4EKDM5AMAPT
SCHEMBL24029084 0.65 PRKCZ (0.42) KDM4EKDM5AHPGDALOX15PARP1
SCHEMBL7217888 0.65 TDP1 (0.41) SMN1; SMN2HTTALDH1A1MAPTGAA
Dimethylamine SCHEMBL8760874 0.63 HCAR3 (0.39) SMN1; SMN2HTTALDH1A1MAPTGAA

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-1998027092-A1 THIAZOLE COMPOUNDS AND METHODS OF MODULATING SIGNAL TRANSDUCTION SUGEN, INC. (US) 1998-06-25 WO disclosed