SCHEMBL23891778

SCHEMBL23891778

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 2/20 0.53
ALDH1A1 P00352 3/20 0.51
HIF1A Q16665 1/20 0.51
VCP P55072 1/20 0.44
ALDH5A1 P51649 1/20 0.44
ABAT P80404 1/20 0.44
XDH P47989 2/20 0.43
MAPT P10636 3/20 0.42
LMNA P02545 2/20 0.42
HTT P42858 2/20 0.42
CA1 P00915 1/20 0.42
MMP2 P08253 1/20 0.42
CA14 Q9ULX7 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ABL1 P00519 3/20 0.41
BCR P11274 3/20 0.41
ATM Q13315 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL472686 0.82 VCAM1 (0.62) VCAM1ALDH1A1HIF1AALDH5A1ABAT
SCHEMBL22040900 0.81 VCAM1 (0.54) VCAM1ALDH1A1HIF1AVCPALDH5A1
SCHEMBL14880649 0.80 ALDH1A1 (0.60) VCAM1ALDH1A1HIF1AVCPALDH5A1
SCHEMBL9656171 0.80 VCAM1 (0.70) VCAM1ALDH1A1ALDH5A1ABATMAPT
SCHEMBL3499951 0.80 NFE2L2 (0.56) VCAM1ALDH1A1HIF1AVCPMAPT
SCHEMBL11663744 0.80 VCAM1 (0.70) VCAM1ALDH1A1ALDH5A1ABATMAPT
SCHEMBL3499948 0.80 NFE2L2 (0.56) VCAM1ALDH1A1HIF1AVCPMAPT
SCHEMBL15709537 0.78 PLA2G4A (0.59) VCAM1ALDH1A1HIF1AMAPTLMNA
SCHEMBL1903142 0.78 PLA2G4A (0.59) VCAM1ALDH1A1HIF1AMAPTLMNA
SCHEMBL1903144 0.78 PLA2G4A (0.59) VCAM1ALDH1A1HIF1AMAPTLMNA

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
EP-3889138-A1 HISTONE ACETYLASE P300 INHIBITOR AND USE THEREOF Hinova Pharmaceuticals Inc. (CN) 2021-10-06 EP disclosed