SCHEMBL9823429

SCHEMBL9823429

O=C(O)c1cncn1C(c1ccccc1)c1ccccn1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
TDP1 Q9NUW8 1/20 0.58
MAPK1 P28482 1/20 0.43
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42
OPRL1 P41146 1/20 0.42
CYP1A2 P05177 4/20 0.42
GABRA1 P14867 5/20 0.41
CYP3A4 P08684 4/20 0.41
GABRB2 P47870 4/20 0.41
CYP11B1 P15538 2/20 0.41
CYP11B2 P19099 2/20 0.41
LMNA P02545 2/20 0.41
CYP2C19 P33261 2/20 0.41
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
CYP2C9 P11712 1/20 0.41
ABCB11 O95342 1/20 0.41
GABRA2 P47869 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
SCHEMBL9823389 0.86 MAPK1 (0.62) ALDH1A1TDP1MAPK1OPRM1OPRD1
SCHEMBL7340516 0.85 ALDH1A1 (0.71) ALDH1A1TDP1MAPK1OPRD1CYP1A2
Hydrochloric Acid SCHEMBL11492702 0.84 ALDH1A1 (0.69) ALDH1A1TDP1MAPK1OPRD1CYP1A2
Hydrochloric Acid SCHEMBL11496011 0.84 ALDH1A1 (0.69) ALDH1A1TDP1MAPK1OPRD1CYP1A2
SCHEMBL9823499 0.81 OPRK1 (0.40) ALDH1A1TDP1MAPK1OPRM1OPRD1
SCHEMBL9823442 0.80 MAPK1 (0.42) ALDH1A1TDP1MAPK1OPRM1OPRD1
Pyrrole SCHEMBL11495979 0.79 ALDH1A1 (0.62) ALDH1A1TDP1MAPK1OPRD1CYP1A2
SCHEMBL11494244 0.78 ALDH1A1 (0.61) ALDH1A1TDP1MAPK1CYP1A2GABRA1
SCHEMBL11486462 0.78 ALDH1A1 (0.65) ALDH1A1TDP1MAPK1CYP1A2GABRA1
SCHEMBL9823270 0.76 OPRK1 (0.42) ALDH1A1TDP1OPRM1OPRD1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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