SCHEMBL3079904

SCHEMBL3079904

Nc1cc(N)cc(C(=O)NC2CCCCC2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.59
MEN1 O00255 1/20 0.59
NPC1 O15118 10/20 0.56
RAB9A P51151 10/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
HPGD P15428 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2C19 P33261 1/20 0.56
MAOA P21397 1/20 0.53
MAOB P27338 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.51
TP53 P04637 1/20 0.51
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
F2 P00734 1/20 0.51
PLG P00747 1/20 0.51
PRSS1 P07477 1/20 0.51
PRSS2 P07478 1/20 0.51
PRSS3 P35030 1/20 0.51

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
SCHEMBL3075237 0.98 MEN1 (0.57) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL13139949 0.96 KMT2A (0.59) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL435720 0.87 KMT2A (0.69) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL9978790 0.87 KMT2A (0.69) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL9979280 0.87 KMT2A (0.69) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL2908851 0.87 KMT2A (0.69) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL2915946 0.87 KMT2A (0.69) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL2911740 0.87 KMT2A (0.69) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL2695068 0.85 KMT2A (0.66) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL3771394 0.83 RAB9A (0.68) NPC1RAB9ASMN1; SMN2HPGDL3MBTL1

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