SCHEMBL3077487

SCHEMBL3077487

CC(C)(C)CC(=O)Nc1cc(N)cc(N)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.54
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.54
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA7 P43166 1/20 0.53
CA14 Q9ULX7 1/20 0.53
RAB9A P51151 4/20 0.51
GAA P10253 1/20 0.51
MAPT P10636 1/20 0.51
NPC1 O15118 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.45
HTT P42858 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
HSD17B10 Q99714 1/20 0.44
HDAC1 Q13547 2/20 0.43
HDAC2 Q92769 2/20 0.43
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
HDAC3 O15379 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
SCHEMBL1947815 0.86 HPGD (0.62) HPGDKMT2AMEN1CA1CA2
SCHEMBL10891853 0.81 CA1 (0.66) HPGDKMT2AMEN1CA1CA2
SCHEMBL13139888 0.79 HPGD (0.56) HPGDKMT2AMEN1CA1CA2
SCHEMBL3604433 0.79 L3MBTL1 (0.60) HPGDKMT2AMEN1L3MBTL1LMNA
SCHEMBL17933421 0.79 POLB (0.56) KMT2AMEN1CA1CA2RAB9A
SCHEMBL23518443 0.78 RAB9A (0.76) HPGDKMT2AMEN1CA1CA2
SCHEMBL1947856 0.78 HPGD (0.54) HPGDKMT2AMEN1CA1CA2
SCHEMBL1947956 0.78 HPGD (0.54) HPGDKMT2AMEN1CA1CA2
SCHEMBL23518557 0.76 HPGD (0.81) HPGDKMT2AMEN1CA1CA2
SCHEMBL6567606 0.75 L3MBTL1 (0.53) HPGDKMT2AMEN1CA1CA2

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 5 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
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