SCHEMBL11029935

SCHEMBL11029935

COc1ccc(Oc2c(Cl)cc(N)cc2Cl)c2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.51
EP300 Q09472 2/20 0.50
KAT8 Q9H7Z6 1/20 0.50
NQO1 P15559 1/20 0.42
IMPDH2 P12268 1/20 0.40
IMPDH1 P20839 1/20 0.40
MAPT P10636 4/20 0.39
ESRRA P11474 2/20 0.39
THRB P10828 1/20 0.38
RORC P51449 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HPGD P15428 1/20 0.37
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
G6PD P11413 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL10967979 0.91 IDO1 (0.46) IDO1EP300KAT8NQO1IMPDH2
SCHEMBL8656155 0.87 ESRRA (0.47) MAPTESRRALMNACYP1A2CYP3A4
SCHEMBL10961278 0.84 IDO1 (0.51) IDO1EP300KAT8NQO1IMPDH2
SCHEMBL10963903 0.80 ESRRA (0.45) IDO1MAPTESRRALMNACYP1A2
SCHEMBL10998177 0.80 IDO1 (0.47) IDO1EP300KAT8NQO1IMPDH2
SCHEMBL23391525 0.79 TTR (0.48) MAPTGAADHPS
SCHEMBL11029673 0.79 ESRRA (0.47) MAPTESRRACYP1A2CYP3A4HPGD
SCHEMBL10965638 0.78 MAPT (0.51) IDO1MAPTRORCLMNACYP1A2
SCHEMBL5202067 0.77 PDGFRA (0.57)
SCHEMBL10962017 0.76 ESRRA (0.47) IDO1MAPTESRRALMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4426385-A Insecticidal bicyclooxyphenyl ureas UNION CARBIDE CORPORATION (US) 1984-01-17 US disclosed
EP-0050321-A2 Novel bicyclooxyphenyl ureas, process for their preparation and pesticides containing them UNION CARBIDE CORPORATION (US) 1982-04-28 EP disclosed