SCHEMBL11874445

SCHEMBL11874445

COC(=O)Nc1nc2cc(Sc3cccc([N+](=O)[O-])c3)ccc2[nH]1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.61
KMT2A Q03164 5/20 0.61
LMNA P02545 4/20 0.61
CYP1A2 P05177 4/20 0.61
NR1I2 O75469 1/20 0.61
MAPK14 Q16539 1/20 0.61
IRAK4 Q9NWZ3 10/20 0.52
SMN1; SMN2 Q16637 5/20 0.52
RAB9A P51151 3/20 0.52
NPC1 O15118 2/20 0.52
ALDH1A1 P00352 2/20 0.52
HIF1A Q16665 2/20 0.48
CYP2C19 P33261 1/20 0.48
TP53 P04637 1/20 0.47
HPGD P15428 1/20 0.47
MAPK1 P28482 1/20 0.47
KCNH2 Q12809 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MAPT P10636 1/20 0.44
KDR P35968 2/20 0.43

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
SCHEMBL6390772 0.86 MEN1 (0.51) MEN1KMT2ALMNACYP1A2NR1I2
Fenbendazole SCHEMBL31547342 0.85 LMNA (0.82) MEN1KMT2ALMNACYP1A2NR1I2
Fenbendazole SCHEMBL31547327 0.85 LMNA (0.82) MEN1KMT2ALMNACYP1A2NR1I2
Fenbendazole SCHEMBL166352 0.85 LMNA (0.82) MEN1KMT2ALMNACYP1A2NR1I2
Fenbendazole SCHEMBL3988034 0.85 LMNA (0.82) MEN1KMT2ALMNACYP1A2NR1I2
SCHEMBL31154057 0.85 MEN1 (0.54) MEN1KMT2ALMNACYP1A2NR1I2
Fenbendazole SCHEMBL28228589 0.84 LMNA (0.80) MEN1KMT2ALMNACYP1A2NR1I2
Fenbendazole SCHEMBL9639071 0.84 LMNA (0.80) MEN1KMT2ALMNACYP1A2NR1I2
SCHEMBL11872088 0.83 LMNA (0.65) MEN1KMT2ALMNACYP1A2NR1I2
SCHEMBL11881074 0.83 LMNA (0.65) MEN1KMT2ALMNACYP1A2NR1I2

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
US-3965113-A 5(6)-Benzene ring substituted benzimidazole-2-carbamate derivatives having anthelmintic activity SYNTEX (U.S.A.) INC. (US) 1976-06-22 US disclosed