SCHEMBL5705174

SCHEMBL5705174

CC(=O)Nc1c([N+](=O)[O-])ccc(Cl)c1C

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.43
MEN1 O00255 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
PDE7A Q13946 1/20 0.43
RORC P51449 1/20 0.43
HTT P42858 2/20 0.42
VCAM1 P19320 1/20 0.41
MAPT P10636 5/20 0.41
NPSR1 Q6W5P4 1/20 0.41
SLC9A1 P19634 1/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 3/20 0.40
LMNA P02545 1/20 0.40
PKM P14618 1/20 0.40

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
SCHEMBL11015444 0.86 TDP1 (0.53) KMT2AMEN1TDP1PDE7ARORC
SCHEMBL4479590 0.84 ALDH1A1 (0.47) KMT2AMEN1HTTMAPTNPSR1
SCHEMBL30939738 0.84 ALDH1A1 (0.47) KMT2AMEN1HTTMAPTNPSR1
SCHEMBL20919362 0.83 TDP1 (0.53) KMT2AMEN1TDP1PDE7ARORC
SCHEMBL27795562 0.81 ALDH1A1 (0.47) KMT2AMEN1PDE7AHTTMAPT
SCHEMBL30002032 0.81 ALDH1A1 (0.47) KMT2AMEN1PDE7AHTTMAPT
SCHEMBL25592517 0.80 TDP1 (0.48) TDP1VCAM1ALDH1A1PKM
SCHEMBL15765841 0.79 MAPT (0.49) TDP1MAPTALDH1A1GAALMNA
SCHEMBL15366075 0.78 HTT (0.50) KMT2AMEN1HTTVCAM1MAPT
SCHEMBL8293656 0.78 ALDH1A1 (0.50) KMT2AMEN1TDP1HTTMAPT

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