SCHEMBL9664658

SCHEMBL9664658

CCN1C(=O)COc2cc(F)c(-n3nc4c([n+]3[O-])CCCC4)cc21

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.36
POLB P06746 1/20 0.36
PLK1 P53350 1/20 0.34
CHRM1 P11229 1/20 0.34
HTT P42858 2/20 0.34
TSHR P16473 1/20 0.34
ALDH1A1 P00352 1/20 0.33
USP2 O75604 1/20 0.33
HTR1A P08908 1/20 0.33
HTR1D P28221 1/20 0.33
HTR1B P28222 1/20 0.33
SLC6A4 P31645 1/20 0.33

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
SCHEMBL9665867 0.88 POLB (0.33) POLBPLK1HTTTSHR
SCHEMBL9666643 0.77 PARP1 (0.36) HTR1AHTR1DHTR1BSLC6A4
SCHEMBL9835748 0.75 RORC (0.37) RORCPOLBCHRM1HTTUSP2
SCHEMBL8600207 0.69 RORC (0.43) RORCPOLBPLK1CHRM1HTT
SCHEMBL10376307 0.67 GRM7 (0.40)
SCHEMBL9345413 0.67 CHRM1 (0.39) RORCPOLBPLK1CHRM1HTT
SCHEMBL9857876 0.66 PPOX (0.43) HTTALDH1A1
SCHEMBL10338402 0.66 CHRM1 (0.42) CHRM1HTT
SCHEMBL12939679 0.66 CHRM1 (0.40) RORCPOLBCHRM1HTTTSHR
SCHEMBL9532622 0.66 MAPT (0.34) HTTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0305923-B1 BENZOXAZINYL-TRIAZOLE OXIDES, THEIR PRODUCTION AND USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-07-29 EP disclosed
US-4885024-A HERBICIDES SUMITOMO CHEMICAL CO., LTD. (JP) 1989-12-05 US disclosed
EP-0305923-A1 Benzoxazinyl-triazole oxides, their production and use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1989-03-08 EP disclosed