SCHEMBL9683719

SCHEMBL9683719

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

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.55
ALDH1A1 P00352 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CYP1A2 P05177 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
ATM Q13315 1/20 0.47
CYP3A4 P08684 1/20 0.44
GAA P10253 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL9597927 0.90 L3MBTL1 (0.49) NPSR1ALDH1A1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL9293280 0.83 CYP1A2 (0.46) NPSR1ALDH1A1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL9694645 0.83 CYP1A2 (0.44) NPSR1CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL9754409 0.80 CYP1A2 (0.46) NPSR1ALDH1A1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL9375965 0.80 CYP1A2 (0.41) NPSR1ALDH1A1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL9761784 0.78 NPSR1 (0.55) NPSR1ALDH1A1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL9622920 0.78 NPSR1 (0.46) NPSR1ALDH1A1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL9754364 0.77 CYP1A2 (0.47) NPSR1ALDH1A1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL9754612 0.77 ERN1 (0.49) NPSR1CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL8939116 0.77 NPSR1 (0.60) NPSR1ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5149357-A Herbicidal substituted benzoylsulfonamides FMC CORPORATION (US) 1992-09-22 US disclosed