SCHEMBL9496933

SCHEMBL9496933

CCOC(=O)CC(=O)c1c(F)cccc1OC(F)F

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.49
NLRP3 Q96P20 1/20 0.45
KMT2A Q03164 5/20 0.43
MEN1 O00255 3/20 0.42
TSHR P16473 1/20 0.42
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 1/20 0.38
TP53 P04637 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
HTT P42858 1/20 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
SCHEMBL1663392 0.85 ALDH1A1 (0.50) POLBNLRP3KMT2AMEN1TSHR
SCHEMBL1931504 0.84 NLRP3 (0.55) NLRP3KMT2AMEN1RAB9ASMN1; SMN2
SCHEMBL25204360 0.78 NLRP3 (0.49) NLRP3KMT2AMEN1RAB9ASMN1; SMN2
SCHEMBL24017796 0.77 NLRP3 (0.43) POLBNLRP3KMT2AMEN1TSHR
SCHEMBL3372832 0.76 POLB (0.53) POLBKMT2AMEN1TSHRRAB9A
SCHEMBL12953136 0.74 ALDH1A1 (0.56) POLBKMT2AMEN1TSHRSMN1; SMN2
SCHEMBL1555531 0.74 MGAM (0.45) POLBNLRP3KMT2AMEN1TSHR
SCHEMBL29005381 0.74 NLRP3 (0.45) NLRP3KMT2AMEN1RAB9ASMN1; SMN2
SCHEMBL9496921 0.74 POLB (0.46) POLBKMT2AMEN1TSHRRAB9A
SCHEMBL3374542 0.74 KMT2A (0.50) POLBKMT2ASMN1; SMN2ALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0320793-B1 CINNOLINE DERIVATIVE, PROCESS FOR PREPARING THE SAME AND HERBICIDAL COMPOSITION CONTAINING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-05-12 EP disclosed
EP-0320782-B1 PLANT MALE STERILANT SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-05-12 EP disclosed
EP-0320782-A2 Plant male sterilant SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1989-06-21 EP disclosed
EP-0320793-A2 Cinnoline derivative, process for preparing the same and herbicidal composition containing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1989-06-21 EP disclosed