SCHEMBL9566670

SCHEMBL9566670

CCOc1c(F)c(F)c([N+](=O)[O-])c(C(=O)O)c1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39
METAP2 P50579 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.34
PKM P14618 2/20 0.33
MAPT P10636 4/20 0.32
POLB P06746 4/20 0.32
TDP1 Q9NUW8 3/20 0.32
TSHR P16473 1/20 0.31
L3MBTL1 Q9Y468 3/20 0.31
SRD5A2 P31213 1/20 0.31
MEN1 O00255 1/20 0.31
APAF1 O14727 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL9566694 0.88 GRIN2D (0.36) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9566707 0.86 GRIN2D (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1202914 0.83 SMN1; SMN2 (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9566685 0.82 TSHR (0.39) SMN1; SMN2TSHRL3MBTL1
SCHEMBL9566659 0.81 MEN1 (0.32) TSHRL3MBTL1MEN1ALDH1A1GAA
SCHEMBL9566665 0.80 TSHR (0.34) SMN1; SMN2TSHR
SCHEMBL8464048 0.80 METAP2 (0.39) METAP2SMN1; SMN2PKMMAPTPOLB
SCHEMBL9566708 0.79 SMN1; SMN2 (0.34) SMN1; SMN2PKMMAPTTDP1L3MBTL1
SCHEMBL9566641 0.79 SMN1; SMN2 (0.34) SMN1; SMN2PKMPOLBTDP1L3MBTL1
SCHEMBL27830419 0.78 THRB (0.41) METAP2SMN1; SMN2PKMMAPTPOLB

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