SCHEMBL25907130

SCHEMBL25907130

Nc1c(Cl)c(C(=O)O)nc(-c2ccc(F)cc2)c1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.53
DHODH Q02127 3/20 0.44
ADORA2A P29274 3/20 0.42
BCL2L1 Q07817 1/20 0.41
BAD Q92934 1/20 0.41
KMO O15229 2/20 0.40
ADORA1 P30542 3/20 0.40
EGLN1 Q9GZT9 1/20 0.39
ADORA3 P0DMS8 1/20 0.38
ADORA2B P29275 1/20 0.38
MAPT P10636 3/20 0.37
KDM4E B2RXH2 2/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
PKM P14618 1/20 0.37
HPGD P15428 1/20 0.37
MAPK1 P28482 1/20 0.37
RAB9A P51151 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CFTR P13569 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
SCHEMBL2469146 0.89 TDP1 (0.47) TDP1DHODHADORA2ABCL2L1BAD
SCHEMBL2465142 0.89 TDP1 (0.54) TDP1DHODHADORA2AKMOADORA1
SCHEMBL2467801 0.87 TDP1 (0.56) TDP1DHODHADORA2AKMOADORA1
SCHEMBL20727095 0.86 TDP1 (0.51) TDP1DHODHADORA2AKMOADORA1
SCHEMBL16075456 0.86 TDP1 (0.51) TDP1DHODHADORA2AKMOADORA1
SCHEMBL16075485 0.86 TDP1 (0.51) TDP1DHODHKMOMAPTKDM4E
SCHEMBL2468818 0.85 PLAU (0.49) TDP1DHODHKDM4EALDH1A1HPGD
SCHEMBL16075393 0.82 TDP1 (0.47) TDP1ADORA2AKMOADORA1
SCHEMBL16075471 0.82 TDP1 (0.47) TDP1DHODHKMOMAPTKDM4E
SCHEMBL2469142 0.82 PDCD1 (0.48) TDP1DHODHADORA2AADORA1KDM4E

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
EP-3440938-B1 4-AMINO-6-(4-SUBSTITUTED-PHENYL)-PICOLINATES AND THEIR USE AS HERBICIDES CORTEVA AGRISCIENCE LLC (US) 2023-07-12 EP disclosed