SCHEMBL29954537

SCHEMBL29954537

Nc1cc2ccccc2cc1C=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.46
LMNA P02545 2/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
THRB P10828 1/20 0.46
BLM P54132 1/20 0.46
IDO1 P14902 1/20 0.45
ERN1 O75460 2/20 0.40
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 5/20 0.39
CYP3A4 P08684 3/20 0.39
HSD17B10 Q99714 3/20 0.39
GAA P10253 2/20 0.39
TSHR P16473 2/20 0.38
ALOX15 P16050 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
HBB P68871 1/20 0.38
HIF1A Q16665 1/20 0.38

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
SCHEMBL1767506 1.00 TDP1 (0.46) TDP1LMNAKMT2AMEN1THRB
SCHEMBL5751119 0.96 ALDH1A1 (0.45) TDP1LMNAKMT2AMEN1THRB
SCHEMBL652955 0.83 LMNA (0.58) TDP1LMNAKMT2AMEN1THRB
SCHEMBL29364404 0.83 LMNA (0.58) TDP1LMNAKMT2AMEN1THRB
Benzo[D]Isoxazole SCHEMBL28970691 0.80 POLB (0.38) TDP1LMNAKMT2AMEN1THRB
SCHEMBL986911 0.78 TDP1 (0.52) TDP1LMNAKMT2AMEN1THRB
SCHEMBL30402244 0.78 TDP1 (0.52) TDP1LMNAKMT2AMEN1THRB
SCHEMBL547777 0.78 TDP1 (0.52) TDP1LMNAKMT2AMEN1THRB
SCHEMBL937705 0.77 IDO1 (0.41) TDP1LMNAKMT2AMEN1IDO1
SCHEMBL8024070 0.77 TDP1 (0.40) TDP1LMNAKMT2AMEN1THRB

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