SCHEMBL9683663

SCHEMBL9683663

COc1cc(OC)nc(Nc2cccc(Cl)c2C(=O)Oc2ccc([N+](=O)[O-])cc2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.42
ALDH1A1 P00352 4/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
RAB9A P51151 2/20 0.42
PTPN7 P35236 1/20 0.42
PTPN12 Q05209 1/20 0.42
PTPN22 Q9Y2R2 1/20 0.42
GAA P10253 2/20 0.41
KDM4E B2RXH2 3/20 0.41
HPGD P15428 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NR1H4 Q96RI1 1/20 0.41
THRB P10828 1/20 0.40
LMNA P02545 1/20 0.39
NPSR1 Q6W5P4 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
ATM Q13315 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
SCHEMBL9683669 0.81 CYP1A2 (0.56) ALDH1A1GAASMN1; SMN2NPSR1CYP1A2
SCHEMBL9683913 0.81 PTPN7 (0.43) MAPTALDH1A1PTPN7PTPN12PTPN22
SCHEMBL9682499 0.77 PBRM1 (0.51)
SCHEMBL12204321 0.77 PTPN7 (0.60) MAPTALDH1A1KMT2AMEN1RAB9A
SCHEMBL9683066 0.73 DHODH (0.41) MAPTALDH1A1KMT2AMEN1RAB9A
SCHEMBL9682647 0.73 PTPN7 (0.45) MAPTALDH1A1KMT2AMEN1RAB9A
SCHEMBL9683847 0.72 MAPT (0.41) MAPTGAACYP1A2
SCHEMBL9683894 0.69 CYP1A2 (0.54) MAPTALDH1A1GAAKDM4EHPGD
SCHEMBL21280661 0.67 TP53 (0.50) MAPTALDH1A1KMT2AMEN1HPGD
SCHEMBL27690202 0.66 MAPT (0.59) MAPTALDH1A1KMT2AMEN1GAA

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