SCHEMBL3071849

SCHEMBL3071849

O=C(NC1CCCC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.63
HPGD P15428 2/20 0.55
ALDH1A1 P00352 2/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
EPHX1 P07099 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
KCNH2 Q12809 1/20 0.51
RAB9A P51151 3/20 0.50
NPC1 O15118 2/20 0.50
LMNA P02545 1/20 0.49

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
SCHEMBL3080624 0.98 L3MBTL1 (0.62) L3MBTL1HPGDALDH1A1MEN1KMT2A
SCHEMBL12443197 0.98 L3MBTL1 (0.62) L3MBTL1HPGDALDH1A1MEN1KMT2A
SCHEMBL13139930 0.95 L3MBTL1 (0.58) L3MBTL1HPGDALDH1A1MEN1KMT2A
SCHEMBL31291527 0.87 L3MBTL1 (0.56) L3MBTL1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL29953036 0.86 L3MBTL1 (0.50) L3MBTL1HPGDALDH1A1MEN1KMT2A
SCHEMBL4524559 0.84 L3MBTL1 (0.57) L3MBTL1HPGDALDH1A1MEN1KMT2A
SCHEMBL6321963 0.84 POLB (0.67) L3MBTL1ALDH1A1MEN1KMT2ASMN1; SMN2
Dinitrophenylene SCHEMBL27627506 0.83 KCNH2 (0.60) L3MBTL1ALDH1A1KMT2AKCNH2RAB9A
SCHEMBL9835734 0.83 KMT2A (0.66) HPGDALDH1A1MEN1KMT2AEPHX1
Dinitrophenylene SCHEMBL27647742 0.82 NPC1 (0.62) L3MBTL1ALDH1A1KCNH2RAB9ANPC1

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