SCHEMBL29954747

SCHEMBL29954747

O=Cc1ccc([N+](=O)[O-])c(F)c1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
VCAM1 P19320 2/20 0.58
ALDH5A1 P51649 1/20 0.58
ABAT P80404 1/20 0.58
ALDH1A1 P00352 8/20 0.49
MAPT P10636 4/20 0.49
ALDH3A1 P30838 2/20 0.49
ALDH1A3 P47895 1/20 0.49
XDH P47989 1/20 0.49
HIF1A Q16665 1/20 0.44
TTR P02766 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
HPGD P15428 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
POLB P06746 1/20 0.42
LMNA P02545 1/20 0.40

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
SCHEMBL572475 1.00 ATM (0.60) ATMTDP1VCAM1ALDH5A1ABAT
SCHEMBL472686 0.85 VCAM1 (0.62) ATMTDP1VCAM1ALDH5A1ABAT
SCHEMBL16958996 0.83 TDP1 (0.58) ATMTDP1VCAM1ALDH5A1ABAT
SCHEMBL28128776 0.83 TDP1 (0.58) ATMTDP1VCAM1ALDH5A1ABAT
SCHEMBL1546955 0.83 TDP1 (0.58) ATMTDP1VCAM1ALDH5A1ABAT
SCHEMBL1466944 0.82 ALDH5A1 (0.69) VCAM1ALDH5A1ABATALDH1A1MAPT
SCHEMBL31484716 0.82 ALDH5A1 (0.69) VCAM1ALDH5A1ABATALDH1A1MAPT
SCHEMBL27110924 0.80 ATM (0.55) ATMTDP1VCAM1ALDH5A1ABAT
SCHEMBL2296057 0.79 CRHBP (0.57) ATMTDP1ALDH5A1ABATALDH1A1
SCHEMBL2296058 0.79 CRHBP (0.57) ATMTDP1ALDH5A1ABATALDH1A1

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-4121043-A1 MDM2 DEGRADERS AND USES THEREOF Kymera Therapeutics, Inc. (US) 2023-01-25 EP disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed