SCHEMBL9770859

SCHEMBL9770859

COC(=O)CSc1cc(N)c(F)cc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.48
KMT2A Q03164 4/20 0.48
GAA P10253 2/20 0.47
GLA P06280 1/20 0.46
MAPT P10636 7/20 0.43
HPGD P15428 3/20 0.43
MEN1 O00255 3/20 0.43
TDP1 Q9NUW8 1/20 0.43
USP2 O75604 1/20 0.42
TP53 P04637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
LMNA P02545 1/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
ATM Q13315 1/20 0.39
NPC1 O15118 1/20 0.39
APEX1 P27695 1/20 0.39
PKM P14618 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL30954114 0.82 ALDH1A1 (0.51) ALDH1A1KMT2AGAAGLAMAPT
SCHEMBL10513330 0.81 ALDH1A1 (0.49) ALDH1A1KMT2AGAAGLAMAPT
SCHEMBL5254611 0.81 ALDH1A1 (0.47) ALDH1A1KMT2AGAAGLAMAPT
SCHEMBL8599203 0.79 ALDH1A1 (0.43) ALDH1A1KMT2AGAAGLAMAPT
SCHEMBL3776114 0.77 ALDH1A1 (0.48) ALDH1A1KMT2AGAAGLAMAPT
SCHEMBL9198229 0.75 ALDH1A1 (0.55) ALDH1A1KMT2AGAAGLAMAPT
SCHEMBL31580183 0.74 ALDH1A1 (0.48) ALDH1A1KMT2AGAAGLAMAPT
SCHEMBL27433521 0.74 ALDH1A1 (0.51) ALDH1A1KMT2AGAAGLAMAPT
SCHEMBL8349274 0.74 MAPT (0.48) ALDH1A1KMT2AGAAGLAMAPT
SCHEMBL23612374 0.74 ALDH1A1 (0.64) ALDH1A1KMT2AGAAGLAMAPT

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-5039331-A Condensed heterocyclic derivatives and herbicides NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1991-08-13 US disclosed
EP-0304920-A2 Condensed heterocyclic derivatives, process for their production and herbicides NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1989-03-01 EP disclosed