SCHEMBL29957583

SCHEMBL29957583

CCCCNC(=O)COc1cccc(Cl)c1C=O

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.54
HPGD P15428 3/20 0.52
TSHR P16473 2/20 0.52
HSD17B10 Q99714 1/20 0.46
ATM Q13315 1/20 0.46
POLB P06746 1/20 0.46
RECQL P46063 1/20 0.45
RAB9A P51151 2/20 0.45
LMNA P02545 3/20 0.44
ALDH1A1 P00352 1/20 0.44
THRB P10828 1/20 0.44
HTT P42858 1/20 0.44
NPC1 O15118 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL15330690 0.93 TSHR (0.54) KMT2AHPGDTSHRHSD17B10RAB9A
SCHEMBL2557772 0.88 HPGD (0.62) KMT2AHPGDTSHRHSD17B10ATM
SCHEMBL2561844 0.87 TSHR (0.53) KMT2AHPGDTSHRHSD17B10POLB
SCHEMBL2559563 0.85 HPGD (0.73) KMT2AHPGDTSHRHSD17B10POLB
SCHEMBL28416273 0.84 HPGD (0.71) KMT2AHPGDTSHRHSD17B10ATM
SCHEMBL2560342 0.84 KMT2A (0.52) KMT2AHPGDTSHRHSD17B10POLB
SCHEMBL2562343 0.82 HPGD (0.48) KMT2AHPGDTSHRHSD17B10POLB
SCHEMBL2560250 0.82 HPGD (0.48) KMT2AHPGDTSHRHSD17B10ATM
SCHEMBL15332743 0.82 PKM (0.49) KMT2AHPGDTSHRPOLBRAB9A
SCHEMBL2559435 0.81 MEN1 (0.49) KMT2AHPGDTSHRHSD17B10POLB

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