SCHEMBL5705175

SCHEMBL5705175

CCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.67
ALDH1A1 P00352 4/20 0.60
MAPT P10636 3/20 0.60
MAPK1 P28482 2/20 0.60
KDM4E B2RXH2 2/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
LMNA P02545 2/20 0.54
HTT P42858 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
PKM P14618 2/20 0.52
IDH1 O75874 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
POLB P06746 1/20 0.48

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
SCHEMBL9365562 0.87 L3MBTL1 (0.59) L3MBTL1ALDH1A1MAPTMAPK1KDM4E
SCHEMBL29263264 0.87 MAPT (0.62) L3MBTL1ALDH1A1MAPTMAPK1KDM4E
SCHEMBL6376371 0.85 POLB (0.63) L3MBTL1ALDH1A1MAPTMAPK1KDM4E
SCHEMBL6376377 0.85 POLB (0.63) L3MBTL1ALDH1A1MAPTMAPK1KDM4E
SCHEMBL3706025 0.84 L3MBTL1 (0.69) L3MBTL1ALDH1A1MAPTMAPK1KDM4E
SCHEMBL4479593 0.84 MAPT (0.55) L3MBTL1ALDH1A1MAPTMEN1KMT2A
SCHEMBL1551583 0.83 PDE7A (0.64) L3MBTL1ALDH1A1MAPTMAPK1KDM4E
SCHEMBL27371696 0.82 ALDH1A1 (0.57) L3MBTL1ALDH1A1MAPTMAPK1KDM4E
SCHEMBL26125825 0.81 ALDH1A1 (0.56) L3MBTL1ALDH1A1MAPTMAPK1KDM4E
SCHEMBL8861948 0.81 L3MBTL1 (0.59) L3MBTL1ALDH1A1MAPTMAPK1KDM4E

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1089982-B1 METHODS OF INHIBITING CORROSION USING ISOMERS OF CHLORO-METHYLBENZOTRIAZOLE BETZDEARBORN INC (US) 2006-08-30 EP disclosed
EP-1089982-A4 METHODS OF INHIBITING CORROSION USING ISOMERS OF CHLORO-METHYLBENZOTRIAZOLE BETZDEARBORN INC (US) 2005-04-06 EP disclosed
CN-1184210-C Methods of inhibiting corrosion using isomers of chloro-methylbenzotrazole BETZDEARBORN INC (US) 2005-01-12 CN disclosed
EP-1089982-A1 METHODS OF INHIBITING CORROSION USING ISOMERS OF CHLORO-METHYLBENZOTRIAZOLE BetzDearborn Inc (US) 2001-04-11 EP disclosed
WO-1999067222-A1 METHODS OF INHIBITING CORROSION USING ISOMERS OF CHLORO-METHYLBENZOTRIAZOLE BETZDEARBORN INC. (US) 1999-12-29 WO disclosed
US-5968408-A ODORLESS BETZDEARBORN INC. (US) 1999-10-19 US disclosed