SCHEMBL4349338

SCHEMBL4349338

Cc1c(N)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-]

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.48
TDP1 Q9NUW8 7/20 0.47
ALDH1A1 P00352 4/20 0.47
CYP3A4 P08684 5/20 0.44
CYP1A2 P05177 2/20 0.44
RECQL P46063 1/20 0.44
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
ALOX15 P16050 1/20 0.42
CCR6 P51684 1/20 0.41
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL2519558 0.85 TSHR (0.55) TSHRTDP1ALDH1A1CYP3A4CYP1A2
SCHEMBL12193494 0.83 GPR35 (0.53) TSHRTDP1ALDH1A1CYP3A4CYP1A2
SCHEMBL1828689 0.80 TSHR (0.48) TSHRTDP1ALDH1A1CYP3A4CYP1A2
SCHEMBL2581016 0.79 CYP1A2 (0.62) TSHRTDP1ALDH1A1CYP3A4CYP1A2
SCHEMBL22351939 0.78 GRIN2D (0.49) TSHRTDP1ALDH1A1CYP3A4CYP1A2
SCHEMBL31585985 0.78 GRIN2D (0.49) TSHRTDP1ALDH1A1CYP3A4RECQL
SCHEMBL30855983 0.78 CYP1A2 (0.67) TSHRTDP1ALDH1A1CYP3A4CYP1A2
SCHEMBL5202894 0.78 CYP1A2 (0.52) TSHRTDP1ALDH1A1CYP3A4CYP1A2
SCHEMBL259813 0.78 TSHR (0.60) TSHRTDP1ALDH1A1CYP3A4CYP1A2
SCHEMBL1330407 0.78 TSHR (0.55) TSHRTDP1ALDH1A1CYP3A4CYP1A2

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-2094093-A2 HERBICIDAL COMPOSITIONS ISAGRO S.p.A. (IT) 2009-09-02 EP claimed
WO-2008071377-A2 HERBICIDAL COMPOSITIONS ISAGRO S.P.A. (IT) 2008-06-19 WO claimed
EP-2094093-A2 HERBICIDAL COMPOSITIONS ISAGRO S.p.A. (IT) 2009-09-02 EP disclosed
WO-2008071377-A2 HERBICIDAL COMPOSITIONS ISAGRO S.P.A. (IT) 2008-06-19 WO disclosed
CN-1099279-A Artificial musk serial anti-inflammatory and anticancer compound Chinese patent medicine and making process thereof BEIFANG MEDICINE DEVEL INST ZU (CN) 1995-03-01 CN disclosed