SCHEMBL29705471

SCHEMBL29705471

O=[N+]([O-])c1ccc(F)c(CO)c1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ALDH1A1 P00352 3/20 0.43
HIF1A Q16665 2/20 0.43
VCAM1 P19320 1/20 0.41
CASP6 P55212 1/20 0.40
TSHR P16473 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
HPGD P15428 1/20 0.38
MAPT P10636 2/20 0.36
POLB P06746 1/20 0.36
MAPK1 P28482 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
LMNA P02545 2/20 0.36
HTT P42858 2/20 0.36
CA1 P00915 1/20 0.36
MMP2 P08253 1/20 0.36

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
SCHEMBL2116895 1.00 ATM (0.44) ATMTDP1ALDH1A1HIF1AVCAM1
SCHEMBL6583252 0.82 CYP1A2 (0.45) ATMTDP1ALDH1A1HIF1AVCAM1
SCHEMBL31558555 0.82 CYP1A2 (0.45) ATMTDP1ALDH1A1HIF1AVCAM1
SCHEMBL25341788 0.82 ALDH1A1 (0.42) ATMTDP1ALDH1A1HIF1AVCAM1
SCHEMBL27215196 0.82 TDP1 (0.47) ATMTDP1ALDH1A1HIF1AVCAM1
SCHEMBL15776706 0.82 TDP1 (0.46) ATMTDP1ALDH1A1HIF1AVCAM1
SCHEMBL10058264 0.82 ATM (0.39) ATMTDP1ALDH1A1HIF1AVCAM1
SCHEMBL27215211 0.81 TDP1 (0.44) ATMTDP1ALDH1A1HIF1AVCAM1
SCHEMBL18681415 0.81 TDP1 (0.44) ATMTDP1ALDH1A1HIF1AVCAM1
SCHEMBL2975400 0.80 ATM (0.40) ATMTDP1ALDH1A1HIF1AVCAM1

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
WO-2022159745-A1 GCN2 MODULATING COMPOUNDS AND USES THEREOF HIBERCELL, INC. (US) 2022-07-28 WO disclosed