SCHEMBL29952966

SCHEMBL29952966

CC(=O)c1cccc(NC(=O)NCC(=O)O)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.69
MEN1 O00255 4/20 0.69
MAPT P10636 4/20 0.62
ALDH1A1 P00352 4/20 0.59
HTT P42858 3/20 0.59
NPC1 O15118 3/20 0.59
RAB9A P51151 3/20 0.59
TSHR P16473 3/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
USP2 O75604 1/20 0.56
TP53 P04637 1/20 0.56
PKM P14618 1/20 0.56
MAPK1 P28482 1/20 0.56
MCL1 Q07820 1/20 0.56
NOX1 Q9Y5S8 1/20 0.56
TDP1 Q9NUW8 1/20 0.54
CREBBP Q92793 1/20 0.54
GAA P10253 1/20 0.54
ALOX15 P16050 1/20 0.54
HSD17B10 Q99714 1/20 0.54

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
SCHEMBL7854890 0.89 CASR (0.63) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL8686196 0.87 CASR (0.65) KMT2AMEN1MAPTALDH1A1NPC1
SCHEMBL29956830 0.85 MAPT (0.67) KMT2AMEN1MAPTALDH1A1HTT
SCHEMBL13753678 0.84 KMT2A (0.68) KMT2AMEN1MAPTALDH1A1HTT
SCHEMBL8683968 0.83 NAMPT (0.65) KMT2AMEN1MAPTALDH1A1NPC1
SCHEMBL5340030 0.83 MEN1 (0.89) KMT2AMEN1MAPTALDH1A1HTT
SCHEMBL7320938 0.83 NPC1 (0.64) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL29953432 0.82 MAPT (0.64) KMT2AMEN1MAPTALDH1A1HTT
SCHEMBL29951995 0.82 MAPT (0.64) KMT2AMEN1MAPTALDH1A1HTT
SCHEMBL4918597 0.82 KMT2A (1.00) KMT2AMEN1MAPTALDH1A1HTT

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