SCHEMBL29953400

SCHEMBL29953400

[C-]#[N+]c1cccc(C(=O)c2ccccc2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.63
TDP1 Q9NUW8 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
ALDH1A1 P00352 2/20 0.54
PBRM1 Q86U86 1/20 0.53
PTGS1 P23219 3/20 0.50
PTGS2 P35354 3/20 0.50
MAPT P10636 2/20 0.50
CXCR1 P25024 2/20 0.50
CXCR2 P25025 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
RECQL P46063 1/20 0.50
KDM4E B2RXH2 1/20 0.50
LMNA P02545 1/20 0.50
CYP3A4 P08684 1/20 0.50
HPGD P15428 1/20 0.50
MAPK1 P28482 1/20 0.50
PMP22 Q01453 1/20 0.50
SLC22A6 Q4U2R8 1/20 0.50
HSD17B10 Q99714 1/20 0.50

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
SCHEMBL12714916 1.00 ATM (0.63) ATMTDP1L3MBTL1ALDH1A1PBRM1
SCHEMBL81598 0.84 CA12 (0.52) TDP1L3MBTL1ALDH1A1MAPTRECQL
SCHEMBL29352153 0.82 ALDH1A1 (0.61) ATMTDP1L3MBTL1ALDH1A1PBRM1
SCHEMBL10048328 0.81 ATM (0.63) ATMTDP1L3MBTL1ALDH1A1PBRM1
SCHEMBL135162 0.79 ATM (1.00) ATMTDP1L3MBTL1ALDH1A1PBRM1
SCHEMBL9324919 0.79 ATM (1.00) ATMTDP1L3MBTL1ALDH1A1PBRM1
SCHEMBL31267166 0.78 ALDH1A1 (0.46) ATMTDP1L3MBTL1ALDH1A1HPGD
SCHEMBL13389659 0.78 ALDH1A1 (0.46) ATMTDP1L3MBTL1ALDH1A1HPGD
SCHEMBL13019496 0.77 RAB9A (0.60) ATMTDP1L3MBTL1ALDH1A1MAPT
SCHEMBL13019493 0.77 RAB9A (0.60) ATMTDP1L3MBTL1ALDH1A1MAPT

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed