SCHEMBL22658346

SCHEMBL22658346

O=CCc1cc([N+](=O)[O-])c2[nH]ccc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 1/20 0.39
XDH P47989 1/20 0.34
DBH P09172 1/20 0.33
APEX1 P27695 1/20 0.33
ALDH1A1 P00352 1/20 0.33
P2RX7 Q99572 1/20 0.32
ALDH5A1 P51649 1/20 0.31
ABAT P80404 1/20 0.31
VCAM1 P19320 1/20 0.31
MAPT P10636 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31
BACE1 P56817 1/20 0.31
PLCG2 P16885 1/20 0.30
IKBKB O14920 1/20 0.30
CHUK O15111 1/20 0.30
ALDH3A1 P30838 1/20 0.30
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL27237602 0.83 IKBKB (0.42) FBP1XDHDBHAPEX1ALDH1A1
SCHEMBL30224871 0.83 FBP1 (0.36) FBP1XDHDBHAPEX1ALDH1A1
SCHEMBL18825065 0.77 GPR84 (0.39) FBP1ALDH1A1MAPTNPSR1LMNA
SCHEMBL1423220 0.76 TDP1 (0.43) APEX1ALDH1A1VCAM1MAPTNPSR1
Ethoxycarbonyl Group SCHEMBL27809829 0.75 FBP1 (0.33) FBP1XDHALDH1A1MAPT
SCHEMBL2768545 0.74 GRIN2D (0.49) APEX1ALDH1A1MAPTNPSR1MEN1
SCHEMBL30978917 0.74 HRH4 (0.44) FBP1ALDH1A1VCAM1PLCG2IKBKB
SCHEMBL1983087 0.74 S100A4 (0.40) FBP1APEX1ALDH1A1MAPTNPSR1
SCHEMBL24988935 0.74 LMNA (0.35) FBP1XDHALDH1A1VCAM1MAPT
SCHEMBL12697213 0.72 CYP2A6 (0.38) ALDH1A1MAPTBACE1LMNA

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-3983386-A1 ACSS2 INHIBITORS AND METHODS OF USE THEREOF Metabomed Ltd (IL) 2022-04-20 EP disclosed
WO-2020230136-A1 ACSS2 INHIBITORS AND METHODS OF USE THEREOF METABOMED LTD (IL) 2020-11-19 WO disclosed