SCHEMBL3077509

SCHEMBL3077509

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

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.44
CYP3A4 P08684 1/20 0.44
TSHR P16473 3/20 0.37
PARP1 P09874 1/20 0.35
LMNA P02545 3/20 0.34
GAA P10253 1/20 0.34
ALDH1A1 P00352 2/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
DHODH Q02127 1/20 0.32
EPHX2 P34913 1/20 0.32
NR1H4 Q96RI1 1/20 0.32
GPR35 Q9HC97 1/20 0.32
HSD11B1 P28845 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
RCE1 Q9Y256 1/20 0.31
CA2 P00918 1/20 0.31
SIRT2 Q8IXJ6 1/20 0.31

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
SCHEMBL3071644 0.84 SMN1; SMN2 (0.42) SMN1; SMN2CYP3A4TSHRPARP1LMNA
SCHEMBL28263886 0.75 SMN1; SMN2 (0.60) SMN1; SMN2CYP3A4TSHRLMNAGAA
SCHEMBL9768399 0.73 PTPRC (0.39) SMN1; SMN2TSHRLMNAALDH1A1MAPT
SCHEMBL27479602 0.73 ACHE (0.39) TSHRLMNAALDH1A1MAPTMEN1
SCHEMBL47585 0.72 GABRA1 (0.48) SMN1; SMN2CYP3A4GAAMAPTDHODH
SCHEMBL27972883 0.68 DHODH (0.35) SMN1; SMN2CYP3A4TSHRPARP1GAA
SCHEMBL10950133 0.67 TAAR1 (0.48) LMNAALDH1A1MAPTHTTKMT2A
SCHEMBL8545783 0.67 KMT2A (0.36) SMN1; SMN2CYP3A4PARP1ALDH1A1MEN1
SCHEMBL11222215 0.66 SMN1; SMN2 (0.52) SMN1; SMN2CYP3A4TSHRPARP1LMNA
SCHEMBL27731314 0.65 TDP1 (0.40) SMN1; SMN2GAAALDH1A1MAPTHTT

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