SCHEMBL10965638

SCHEMBL10965638

COc1ccc(Oc2c(Cl)cc([N+](=O)[O-])cc2Cl)c2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
HPGD P15428 3/20 0.51
CYP2C9 P11712 2/20 0.51
NPC1 O15118 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C19 P33261 1/20 0.51
RAB9A P51151 1/20 0.51
LMNA P02545 6/20 0.49
ALDH1A1 P00352 4/20 0.47
MAPK1 P28482 2/20 0.47
TDP1 Q9NUW8 1/20 0.43
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.43
HTT P42858 2/20 0.43
NPSR1 Q6W5P4 1/20 0.42
RORC P51449 1/20 0.42
IDO1 P14902 1/20 0.41

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
SCHEMBL11031778 0.92 MAPT (0.47) MAPTSMN1; SMN2HPGDCYP2C9NPC1
SCHEMBL8657658 0.89 MAPT (0.53) MAPTSMN1; SMN2HPGDCYP2C9NPC1
SCHEMBL10965789 0.86 MAPT (0.61) MAPTSMN1; SMN2HPGDCYP2C9NPC1
SCHEMBL10992514 0.83 MAPT (0.51) MAPTSMN1; SMN2HPGDCYP2C9NPC1
SCHEMBL11030421 0.83 MAPT (0.48) MAPTSMN1; SMN2HPGDCYP2C9NPC1
SCHEMBL23391581 0.82 SMN1; SMN2 (0.47) MAPTSMN1; SMN2HPGDCYP2C9NPC1
SCHEMBL11026917 0.82 ALOX5 (0.54) MAPTSMN1; SMN2HPGDCYP2C9NPC1
SCHEMBL10963006 0.80 MAPT (0.50) MAPTSMN1; SMN2HPGDCYP2C9NPC1
SCHEMBL11029230 0.78 MAPT (0.52) MAPTSMN1; SMN2HPGDCYP2C9NPC1
SCHEMBL10962795 0.78 HTT (0.55) MAPTSMN1; SMN2HPGDCYP2C9NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0050321-B1 NOVEL BICYCLOOXYPHENYL UREAS, PROCESS FOR THEIR PREPARATION AND PESTICIDES CONTAINING THEM UNION CARBIDE CORPORATION (US) 1985-08-21 EP disclosed
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