SCHEMBL3071606

SCHEMBL3071606

CC(C)CCNC(=O)c1cc(N)cc(N)c1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.60
LMNA P02545 1/20 0.60
NPC1 O15118 2/20 0.54
RAB9A P51151 1/20 0.54
GAA P10253 2/20 0.51
HTT P42858 1/20 0.48
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
THRB P10828 1/20 0.44
ANPEP P15144 2/20 0.44
RNPEP Q9H4A4 2/20 0.44
DNPEP Q9ULA0 1/20 0.44
HPGD P15428 1/20 0.43
KCNA5 P22460 1/20 0.43
NAMPT P43490 1/20 0.42
GRM5 P41594 1/20 0.42
CYP3A4 P08684 1/20 0.42
ALDH1A1 P00352 1/20 0.41
BRD4 O60885 1/20 0.41

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
SCHEMBL1561293 0.87 SMN1; SMN2 (0.62) SMN1; SMN2LMNANPC1RAB9AGAA
SCHEMBL26716442 0.84 SMN1; SMN2 (0.62) SMN1; SMN2LMNANPC1RAB9AGAA
SCHEMBL3705474 0.83 RAB9A (0.67) SMN1; SMN2LMNANPC1RAB9AHTT
SCHEMBL17887994 0.80 SMN1; SMN2 (0.77) SMN1; SMN2LMNANPC1RAB9AGAA
SCHEMBL10494518 0.79 SMN1; SMN2 (0.60) SMN1; SMN2LMNANPC1RAB9AGAA
SCHEMBL11335644 0.78 HPGD (0.51) LMNAHTTMEN1KMT2AHPGD
SCHEMBL31477865 0.78 SMN1; SMN2 (0.53) SMN1; SMN2LMNANPC1RAB9AGAA
SCHEMBL8087947 0.77 SMN1; SMN2 (0.62) SMN1; SMN2HTT
SCHEMBL18383667 0.76 KMT2A (0.51) SMN1; SMN2LMNANPC1RAB9AGAA
SCHEMBL496789 0.75 SMN1; SMN2 (0.81) SMN1; SMN2LMNANPC1RAB9AGAA

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
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
CN-100344681-C Resin compositions CIBA SC HOLDING AG (CH) 2007-10-24 CN disclosed
US-20070149663-A1 Resin compositions CIBA SPECIALTY CHEMICALS CORP. 2007-06-28 US disclosed
CN-1747995-A Resin compositions CIBA SC HOLDING AG (CH) 2006-03-15 CN 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