SCHEMBL9532622

SCHEMBL9532622

O=c1[nH]c2cc(-n3nc4c([n+]3[O-])CCCC4)c(F)cc2s1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GRIA1 P42261 3/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32

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
SCHEMBL9536345 0.75 CNR2 (0.31)
SCHEMBL9535743 0.74 PPOX (0.30)
SCHEMBL9368678 0.72 CMA1 (0.35) MAPTMEN1LMNATP53TSHR
SCHEMBL10524526 0.70 GRM7 (0.38) MAPTMEN1LMNATP53TSHR
SCHEMBL9666643 0.70 PARP1 (0.36) MAPTMEN1TP53KMT2A
SCHEMBL9857876 0.68 PPOX (0.43) MAPTLMNATP53HTTSMN1; SMN2
SCHEMBL9664658 0.66 RORC (0.36) TSHRHTT
SCHEMBL10824231 0.61 PPOX (0.38)
SCHEMBL9535396 0.60 CMA1 (0.44) MAPTMEN1LMNATP53TSHR
SCHEMBL6627615 0.58 BCAT1 (0.48) SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0274066-B1 BENZOTHIAZOLONES, AND THEIR PRODUCTION AND USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-03-17 EP disclosed
US-5079368-A Chemical intermediate for herbicides SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1992-01-07 US disclosed
US-4946961-A HERBICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1990-08-07 US disclosed
US-4888045-A HERBICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1989-12-19 US disclosed
EP-0274066-A2 Benzothiazolones, and their production and use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1988-07-13 EP disclosed