SCHEMBL9874657

SCHEMBL9874657

Nc1cc2[nH]c(=O)oc2cc1F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.52
NOS1 P29475 4/20 0.44
NOS3 P29474 3/20 0.44
NOS2 P35228 3/20 0.44
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
ADRA2A P08913 1/20 0.44
TSHR P16473 1/20 0.44
THPO P40225 1/20 0.44
BLM P54132 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
OGT O15294 1/20 0.41
PDE3B Q13370 2/20 0.39
PDE3A Q14432 2/20 0.39
ACLY P53396 1/20 0.38
CREBBP Q92793 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
PPM1D O15297 1/20 0.36
POLB P06746 2/20 0.36

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
SCHEMBL7067142 0.93 KMO (0.52) KMONOS1NOS3NOS2LMNA
SCHEMBL9680309 0.84 KMO (0.59) KMONOS1NOS3NOS2LMNA
SCHEMBL2549381 0.84 KMO (0.59) KMONOS1NOS3NOS2LMNA
SCHEMBL11040016 0.78 NOS1 (0.53) KMONOS1NOS3NOS2LMNA
SCHEMBL11045421 0.78 KMO (0.72) KMONOS1NOS3NOS2LMNA
SCHEMBL24981075 0.78 KMO (0.52) KMONOS1NOS3NOS2LMNA
SCHEMBL5536562 0.78 NOS1 (0.53) KMONOS1NOS3NOS2LMNA
SCHEMBL31180320 0.78 KMO (0.52) KMONOS1NOS3NOS2LMNA
SCHEMBL29455648 0.78 KMO (0.52) KMONOS1NOS3NOS2LMNA
SCHEMBL782747 0.78 KMO (0.52) KMONOS1NOS3NOS2LMNA

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-5007952-A Herbicidal novel benzothiazolonyl pyrroles NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1991-04-16 US disclosed
EP-0369262-A2 Novel pyrroles NIHON BAYER AGROCHEM K.K. (JP) 1990-05-23 EP disclosed