SCHEMBL9823588

SCHEMBL9823588

CCCC(c1cccc(Cl)c1)n1cncc1C(=O)OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.52
GABRA1 P14867 4/20 0.45
GABRB2 P47870 4/20 0.45
CYP11B1 P15538 3/20 0.45
CYP11B2 P19099 3/20 0.45
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
LMNA P02545 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
ABCB11 O95342 1/20 0.45
GABRA2 P47869 1/20 0.45
MAPT P10636 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ROCK2 O75116 1/20 0.37
OPRM1 P35372 2/20 0.37
OPRD1 P41143 2/20 0.37
OPRK1 P41145 2/20 0.37
OPRL1 P41146 2/20 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
SCHEMBL9823288 0.88 ALDH1A1 (0.51) MAPK1GABRA1GABRB2CYP11B1CYP11B2
SCHEMBL27262999 0.87 MAPK1 (0.52) MAPK1GABRA1GABRB2CYP11B1CYP11B2
SCHEMBL30357879 0.83 MAPK1 (0.41) MAPK1GABRA1GABRB2CYP11B1CYP11B2
SCHEMBL10623371 0.81 MAPK1 (0.51) MAPK1GABRA1GABRB2CYP11B1CYP11B2
SCHEMBL9823910 0.80 OPRM1 (0.39) MAPK1GABRA1GABRB2CYP11B1CYP11B2
SCHEMBL27263120 0.80 MAPK1 (0.48) MAPK1GABRA1GABRB2CYP11B1CYP11B2
SCHEMBL9823414 0.80 MAPK1 (0.51) MAPK1GABRA1GABRB2CYP11B1CYP11B2
SCHEMBL9823554 0.76 MAPK1 (0.52) MAPK1GABRA1GABRB2CYP11B1CYP11B2
SCHEMBL9823631 0.76 MAPK1 (0.52) MAPK1GABRA1GABRB2CYP11B1CYP11B2
SCHEMBL30357805 0.76 MAPK1 (0.44) MAPK1GABRA1GABRB2CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0240050-B1 A METHOD FOR CONTROLLING WEEDS JANSSEN PHARMACEUTICA N.V. (BE) 1991-06-26 EP claimed
US-4770689-A TRANSPLANTED RICE AND MAIZE CROPS JANSSEN PHARMACEUTICA N.V. (BE) 1988-09-13 US claimed
EP-0240050-A1 A method for controlling weeds JANSSEN PHARMACEUTICA N.V. (BE) 1987-10-07 EP claimed
CN-87101880-A METHOD FOR CONTROLLING WEEDS 1987-09-23 CN claimed
CN-1023317-C Method for controlling weeds JASSEN PHARMACEUTIC N V (BE) 1993-12-29 CN disclosed
EP-0240050-B1 A METHOD FOR CONTROLLING WEEDS JANSSEN PHARMACEUTICA N.V. (BE) 1991-06-26 EP disclosed
US-4770689-A TRANSPLANTED RICE AND MAIZE CROPS JANSSEN PHARMACEUTICA N.V. (BE) 1988-09-13 US disclosed
EP-0240050-A1 A method for controlling weeds JANSSEN PHARMACEUTICA N.V. (BE) 1987-10-07 EP disclosed
CN-87101880-A METHOD FOR CONTROLLING WEEDS 1987-09-23 CN disclosed