SCHEMBL29193282

SCHEMBL29193282

O=C(O)c1ccc(C=C[N+](=O)[O-])c(C(F)(F)F)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 5/20 0.53
KDM4E B2RXH2 2/20 0.42
POLB P06746 2/20 0.42
MAPT P10636 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
ALDH1A1 P00352 1/20 0.42
MEN1 O00255 1/20 0.42
APEX1 P27695 1/20 0.42
RECQL P46063 1/20 0.42
KMT2A Q03164 1/20 0.42
P4HB P07237 1/20 0.41
ABL1 P00519 3/20 0.41
EGFR P00533 3/20 0.41
ABL2 P42684 3/20 0.41
CASP6 P55212 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
TSHR P16473 2/20 0.38
LMNA P02545 1/20 0.38
APP P05067 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL29193278 1.00 FBP1 (0.53) FBP1KDM4EPOLBMAPTL3MBTL1
SCHEMBL28627476 0.78 FBP1 (0.49) FBP1MAPTALDH1A1APP
SCHEMBL28627478 0.78 FBP1 (0.49) FBP1MAPTALDH1A1APP
SCHEMBL988152 0.77 SMN1; SMN2 (0.46) POLBL3MBTL1ALDH1A1APEX1P4HB
SCHEMBL16094381 0.75 SMN1; SMN2 (0.45) KDM4EPOLBMAPTL3MBTL1P4HB
SCHEMBL615414 0.74 CASP6 (0.64) ALDH1A1APEX1CASP6SMN1; SMN2TSHR
SCHEMBL1010123 0.73 NFKB1 (0.54) FBP1ALDH1A1MEN1KMT2AP4HB
SCHEMBL1010124 0.73 NFKB1 (0.54) FBP1ALDH1A1MEN1KMT2AP4HB
SCHEMBL1265098 0.71 CASP6 (0.64) POLBAPEX1CASP6TSHRLMNA
SCHEMBL29886656 0.71 CASP6 (0.64) POLBAPEX1CASP6TSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117597150-A Modulation of antibody dependent cellular cytotoxicity 思进公司 2024-02-23 CN disclosed