SCHEMBL9566641

SCHEMBL9566641

CC(C)(C)Oc1c(F)c(F)c([N+](=O)[O-])c(C(=O)O)c1F

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.34
PKM P14618 1/20 0.33
TDP1 Q9NUW8 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
CTDSP1 Q9GZU7 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
SCHEMBL1202914 0.83 SMN1; SMN2 (0.47) SMN1; SMN2PKMTDP1L3MBTL1KDM4E
SCHEMBL9566672 0.82
SCHEMBL9566697 0.81
SCHEMBL9566714 0.80
SCHEMBL9566652 0.80
SCHEMBL9566686 0.80
SCHEMBL9566706 0.79
SCHEMBL9566708 0.79 SMN1; SMN2 (0.34) SMN1; SMN2PKMTDP1L3MBTL1
SCHEMBL9566670 0.79 GRIN2D (0.39) SMN1; SMN2PKMTDP1L3MBTL1POLB
SCHEMBL9566660 0.78

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
EP-0545866-A1 Process for the preparation of trifluorobenzol derivatives CIBA-GEIGY AG (CH) 1993-06-09 EP claimed
EP-0545866-A1 Process for the preparation of trifluorobenzol derivatives CIBA-GEIGY AG (CH) 1993-06-09 EP disclosed