SCHEMBL21723616

SCHEMBL21723616

Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)O

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.50
▸ MAPT P10636 5/20 0.49
▸ TSHR P16473 2/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ MEN1 O00255 3/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ NPC1 O15118 2/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ LMNA P02545 2/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ RECQL P46063 1/20 0.47
▸ HTT P42858 1/20 0.46
▸ TP53 P04637 1/20 0.45
▸ ALDH1A1 P00352 3/20 0.44
▸ CES2 O00748 1/20 0.44
▸ CES1 P23141 1/20 0.44

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
SCHEMBL2929136 0.88 NPSR1 (0.51) GAAMAPTTSHRSMN1; SMN2MEN1
SCHEMBL23524966 0.85 LMNA (0.44) GAAMAPTTSHRSMN1; SMN2MEN1
SCHEMBL30739788 0.83 POLB (0.64) GAAMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL11037348 0.82 RORC (0.46) GAAMAPTTSHRSMN1; SMN2MEN1
SCHEMBL5203193 0.81 GAA (0.55) GAAMAPTTSHRSMN1; SMN2MEN1
SCHEMBL31217344 0.80 RECQL (0.43) GAAMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL7643861 0.79 MAPT (0.50) MAPTTSHRSMN1; SMN2MEN1KMT2A
SCHEMBL11237157 0.79 POLB (0.60) GAAMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL5606205 0.78 MAPT (0.49) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL7698657 0.78 MAPT (0.49) MAPTTSHRSMN1; SMN2MEN1KMT2A

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-2020035825-A1 N'-(4-(BENZYLAMINO)-PHENYL)-N-ETHYL-N-METHYLFORMIMIDAMIDE DERIVATIVES AND RELATED COMPOUNDS FOR PROTECTING AGRICULTURAL CROPS AGAINST PHYTOPATHOGENIC MICROORGANISMS PI INDUSTRIES LTD (IN) 2020-02-20 — — WO disclosed
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