SCHEMBL11873751

SCHEMBL11873751

COC(=O)Nc1nc2cc(Oc3ccc([N+](=O)[O-])cc3)ccc2[nH]1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDR P35968 11/20 0.54
TEK Q02763 10/20 0.54
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
NPC1 O15118 1/20 0.50
MAPT P10636 1/20 0.50
RAB9A P51151 1/20 0.50
IRAK4 Q9NWZ3 1/20 0.49
LMNA P02545 2/20 0.48
MAPK1 P28482 1/20 0.48
HIF1A Q16665 1/20 0.48
NPSR1 Q6W5P4 1/20 0.47
CHEK2 O96017 1/20 0.45

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
SCHEMBL14375377 0.90 MEN1 (0.51) KDRTEKMEN1KMT2ASMN1; SMN2
SCHEMBL31154057 0.88 MEN1 (0.54) KDRMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL5347951 0.85 KDR (0.57) KDRTEKMEN1KMT2ANPC1
SCHEMBL11875471 0.85 KDR (0.69) KDRTEKMEN1KMT2ASMN1; SMN2
SCHEMBL6398508 0.85 KDR (0.45) KDRTEKMEN1KMT2ASMN1; SMN2
SCHEMBL5346740 0.85 TEK (0.68) KDRTEKMEN1KMT2AMAPT
SCHEMBL11879872 0.84 KDR (0.60) KDRTEKSMN1; SMN2LMNAMAPK1
SCHEMBL11864339 0.84 KDR (0.58) KDRTEKSMN1; SMN2LMNAMAPK1
SCHEMBL11878978 0.84 KDR (0.61) KDRTEKLMNAMAPK1HIF1A
SCHEMBL29569399 0.84 KDR (0.61) KDRTEKLMNAMAPK1HIF1A

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
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 claimed
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