SCHEMBL21240945

SCHEMBL21240945

C=Cc1cnc(OC(C)=O)cc1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NNMT P40261 1/20 0.37
ALDH1A1 P00352 1/20 0.34
F2 P00734 1/20 0.34
GLA P06280 1/20 0.34
HPGD P15428 1/20 0.34
POLB P06746 1/20 0.32
RORC P51449 1/20 0.31
ACHE P22303 2/20 0.31
LMNA P02545 2/20 0.31
PTGS1 P23219 1/20 0.31
HTT P42858 2/20 0.30
KDM4E B2RXH2 1/20 0.30
TP53 P04637 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
HSD17B10 Q99714 1/20 0.30
RAB9A P51151 1/20 0.30
TNIK Q9UKE5 1/20 0.30
MEN1 O00255 1/20 0.30
PABPC1 P11940 1/20 0.30

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
SCHEMBL25305795 0.75 NNMT (0.40) NNMTALDH1A1F2GLAHPGD
SCHEMBL31250354 0.75 NNMT (0.40) NNMTALDH1A1F2GLAHPGD
SCHEMBL11011775 0.74 PTGS1 (0.36) ALDH1A1F2GLAHPGDPOLB
SCHEMBL7930814 0.70 ACHE (0.50) ALDH1A1F2GLAHPGDPOLB
SCHEMBL27802227 0.70 KDM4E (0.37) NNMTALDH1A1LMNAPTGS1KDM4E
SCHEMBL27223260 0.70 PDXK (0.33) GAAMEN1KMT2A
SCHEMBL18885307 0.69 UHRF1 (0.46)
SCHEMBL30108286 0.69 MAPT (0.41) ALDH1A1HPGDPOLBLMNAHTT
SCHEMBL27817668 0.68 CTSL (0.36) NNMTALDH1A1F2GLAHPGD
SCHEMBL6584035 0.68 ALDH1A1 (0.47) ALDH1A1F2GLAHPGDPOLB

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
WO-2019149260-A1 PYRIDAZINOL COMPOUND, DERIVATIVE THEREOF, PREPARATION METHOD THEREFOR, HERBICIDAL COMPOSITION AND USE THEREOF 青岛清原化合物有限公司 2019-08-08 WO disclosed