SCHEMBL3071598

SCHEMBL3071598

CC(C)CCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1

nearest known ligand 0.80

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.80
PKM P14618 1/20 0.54
NPC1 O15118 2/20 0.53
CYP3A4 P08684 1/20 0.53
LMNA P02545 6/20 0.52
MAPT P10636 4/20 0.52
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
HTT P42858 3/20 0.51
ALDH1A1 P00352 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
GLA P06280 1/20 0.50
RAB9A P51151 1/20 0.49
HPGD P15428 1/20 0.48
ALOX5 P09917 1/20 0.48
THRB P10828 1/20 0.47

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
SCHEMBL10099553 0.85 MAPT (0.64) GAANPC1LMNAMAPTMEN1
SCHEMBL7995220 0.84 GAA (0.59) GAAPKMLMNAMAPTMEN1
SCHEMBL1561293 0.82 SMN1; SMN2 (0.62) GAANPC1CYP3A4LMNAMEN1
Dimethylamine SCHEMBL10717788 0.81 PKM (0.57) GAAPKMLMNAMAPTMEN1
SCHEMBL9516997 0.81 PKM (0.59) GAAPKMCYP3A4LMNAMAPT
Dimethylamine SCHEMBL10716345 0.80 PKM (0.56) GAAPKMLMNAMAPTMEN1
SCHEMBL5506840 0.80 PKM (0.63) GAAPKMLMNAMAPTMEN1
SCHEMBL27233005 0.80 GAA (0.54) GAAPKMCYP3A4LMNAMAPT
SCHEMBL17834029 0.80 MEN1 (0.67) GAAPKMLMNAMAPTMEN1
SCHEMBL10024469 0.80 GAA (0.60) GAAPKMLMNAMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6376548-B1 FUNGICIDES; HERBICIDES; INSECTICIDES ROHM AND HAAS COMPANY 2002-04-23 US claimed
EP-1592738-B1 RESIN COMPOSITIONS CIBA HOLDING INC (CH) 2020-07-29 EP disclosed
US-7790793-B2 Amide nucleating agent compositions CIBA SPECIALTY CHEM. CORP. (US) 2010-09-07 US disclosed
US-20070149663-A1 Resin compositions CIBA SPECIALTY CHEMICALS CORP. 2007-06-28 US disclosed
EP-1592738-A2 RESIN COMPOSITIONS Ciba SC Holding AG (CH) 2005-11-09 EP disclosed
WO-2004072168-A2 RESIN COMPOSITIONS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2004-08-26 WO disclosed
US-6376548-B1 FUNGICIDES; HERBICIDES; INSECTICIDES ROHM AND HAAS COMPANY 2002-04-23 US disclosed