SCHEMBL8932300

SCHEMBL8932300

COc1cnnc(Oc2cc(C)c(Cl)c(C)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.48
HAO1 Q9UJM8 3/20 0.33
MCL1 Q07820 2/20 0.33
POLB P06746 1/20 0.33
BAK1 Q16611 1/20 0.33
LMNA P02545 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
KMT2A Q03164 1/20 0.31
SCN9A Q15858 1/20 0.31
CYP3A4 P08684 2/20 0.31
MAPT P10636 1/20 0.31
CHRM1 P11229 1/20 0.31
ALOX15 P16050 1/20 0.31
MAOA P21397 1/20 0.31
TBXA2R P21731 1/20 0.31
ADRA1A P35348 1/20 0.31
HTR2B P41595 1/20 0.31
ALDH1A1 P00352 3/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL15263118 0.75 CYP1B1 (0.34) KDM4EL3MBTL1CYP3A4MAPTCHRM1
SCHEMBL10321794 0.75 LTA4H (0.48) KDM4EHAO1LMNAL3MBTL1KMT2A
SCHEMBL3749321 0.72 ALDH1A1 (0.53) KDM4EMCL1POLBL3MBTL1CYP3A4
SCHEMBL11185624 0.70 PTPN1 (0.50) KDM4EMCL1POLBCYP3A4CHRM1
SCHEMBL2211310 0.69
SCHEMBL30698349 0.69
SCHEMBL8932314 0.68
SCHEMBL11177610 0.67 KDM4E (0.42) KDM4EMCL1POLBL3MBTL1CYP3A4
SCHEMBL9005068 0.67 CYP11B1 (0.38) KDM4EL3MBTL1KMT2ASCN9AMAPT
SCHEMBL9005147 0.67 GRM5 (0.41) KDM4ELMNAL3MBTL1KMT2AADRA1A

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-5559080-A 3-phenoxypyridazines, herbicidal compositions and uses thereof MONSANTO COMPANY (US) 1996-09-24 US claimed