SCHEMBL8939153

SCHEMBL8939153

COc1cc(OC)nc(Oc2cccc(Cl)c2C(=O)ON)n1

nearest known ligand 0.75

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.60
ALDH1A1 P00352 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
CYP1A2 P05177 2/20 0.52
CYP2C9 P11712 2/20 0.52
CYP2C19 P33261 2/20 0.52
ATM Q13315 1/20 0.52
CYP3A4 P08684 1/20 0.48
GAA P10253 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
SCHEMBL9045943 0.90 NPSR1 (0.62) NPSR1ALDH1A1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL8939116 0.86 NPSR1 (0.60) NPSR1ALDH1A1SMN1; SMN2
SCHEMBL9046476 0.85 NPSR1 (0.58) NPSR1ALDH1A1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL9622245 0.85 NPSR1 (0.58) NPSR1ALDH1A1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL27436539 0.85 NPSR1 (0.44) NPSR1ALDH1A1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL9873475 0.85 NPSR1 (0.59) NPSR1ALDH1A1SMN1; SMN2
SCHEMBL9379389 0.84 NPSR1 (0.57) NPSR1ALDH1A1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL9379016 0.84 CYP1A2 (0.64) NPSR1ALDH1A1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL9622225 0.84 NPSR1 (0.58) NPSR1ALDH1A1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL9622844 0.84 NPSR1 (0.58) NPSR1ALDH1A1SMN1; SMN2CYP1A2CYP2C9

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
US-5494888-A ACETOLACTATE SYNTHASE INHIBITOR LUCKY LTD. (KR) 1996-02-27 US claimed
EP-0608862-A1 Novel 6-chloro-2-(4,6-dimethoxypyrimidin-2-yl) oxybenzoic acid ester derivatives, processes for their production an a method for their application as herbicides LUCKY LTD. (KR) 1994-08-03 EP claimed
US-5494888-A ACETOLACTATE SYNTHASE INHIBITOR LUCKY LTD. (KR) 1996-02-27 US disclosed
US-5494888-A ACETOLACTATE SYNTHASE INHIBITOR LUCKY LTD. (KR) 1996-02-27 US disclosed
EP-0608862-A1 Novel 6-chloro-2-(4,6-dimethoxypyrimidin-2-yl) oxybenzoic acid ester derivatives, processes for their production an a method for their application as herbicides LUCKY LTD. (KR) 1994-08-03 EP disclosed