SCHEMBL7835989

SCHEMBL7835989

COC(=O)c1c(Oc2nc(OC)cc(OC)n2)cccc1C(C)=[N+](C)O

nearest known ligand 0.71

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
CYP1A2 P05177 3/20 0.50
CYP2C9 P11712 3/20 0.50
CYP2C19 P33261 3/20 0.50
CYP3A4 P08684 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
GAA P10253 1/20 0.50
ATM Q13315 1/20 0.48

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
SCHEMBL7833574 0.90 CYP1A2 (0.50) ALDH1A1SMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL7832466 0.90 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL7822890 0.89 CYP1A2 (0.47) ALDH1A1SMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL7833710 0.88 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL7837500 0.87 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL7823856 0.86 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL7837734 0.84 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL27377682 0.84 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL9216614 0.83 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL9216603 0.83 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2CYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-7138108-A None JP disclosed
JP-4134073-A None JP disclosed
EP-0435170-B1 Pyrimidine or triazine derivatives and herbicidal composition containing the same KUMIAI CHEMICAL INDUSTRY CO (JP) 2001-05-09 EP disclosed
JP-H07138108-A HERBICIDE COMPOSITION KUMIAI CHEM IND CO LTD 1995-05-30 JP disclosed
US-5302739-A Chemical intermediates, herbicides KUMIAI CHEMICAL INDUSTRY CO. (JP) 1994-04-12 US disclosed
US-5242895-A Antigrowth agents for plants KUMIAI CHEMICAL CO. (JP) 1993-09-07 US disclosed
US-5118339-A PYRIMIDINE DERIVATIVES AND HERBICIDAL COMPOSITION CONTAINING THE SAME KUMIAI CHEMICAL CO. (JP) 1992-06-02 US disclosed
JP-H04134073-A PYRIMIDINE OR TRIAZINE DERIVATIVE AND HERBICIDE KUMIAI CHEM IND CO LTD 1992-05-07 JP disclosed
EP-0435170-A2 Pyrimidine or triazine derivatives and herbicidal composition containing the same KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1991-07-03 EP disclosed