SCHEMBL3294386

SCHEMBL3294386

O=[N+]([O-])c1cccc([N+](=O)[O-])n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.46
LMNA P02545 2/20 0.46
TDP1 Q9NUW8 5/20 0.44
ALDH1A1 P00352 7/20 0.43
GPR35 Q9HC97 1/20 0.42
PDE10A Q9Y233 1/20 0.42
RXRA P19793 1/20 0.41
KDM4E B2RXH2 2/20 0.39
CYP3A4 P08684 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
HPGD P15428 1/20 0.39
APEX1 P27695 1/20 0.39
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
CYP2C19 P33261 1/20 0.39
NOS2 P35228 1/20 0.39

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
SCHEMBL3144065 0.87 LMNA (0.41) TSHRLMNATDP1ALDH1A1GPR35
SCHEMBL31052632 0.84 NOS3 (0.41) TSHRLMNATDP1ALDH1A1PDE10A
SCHEMBL18387601 0.84 LMNA (0.38) TSHRLMNATDP1ALDH1A1GPR35
SCHEMBL30945318 0.84 ALDH1A1 (0.49) TSHRLMNATDP1ALDH1A1SMN1; SMN2
SCHEMBL188183 0.84 TSHR (0.38) TSHRLMNATDP1ALDH1A1GPR35
SCHEMBL16289365 0.84 LMNA (0.38) TSHRLMNATDP1ALDH1A1GPR35
SCHEMBL4494414 0.84 LMNA (0.38) TSHRLMNATDP1ALDH1A1GPR35
SCHEMBL3865531 0.84 GPR35 (0.45) TSHRLMNATDP1ALDH1A1GPR35
SCHEMBL873623 0.84 TSHR (0.43) TSHRLMNATDP1ALDH1A1GPR35
SCHEMBL31511551 0.84 TSHR (0.38) TSHRLMNATDP1ALDH1A1GPR35

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7732540-B2 Process for producing olefin copolymerization catalyst and process for producing olefin copolymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-06-08 US disclosed
US-20090018012-A1 Process for Producing Olefin Copolymerization Catalyst and Process for Producing Olefin Copolymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-01-15 US disclosed
US-4713080-A OXIDATIVE COLORING WELLA AKTIENGESELLSCHAFT (DE) 1987-12-15 US disclosed