SCHEMBL29953589

SCHEMBL29953589

CC(=O)c1c(C(=O)O)cc(C)nc1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.45
ALDH1A1 P00352 8/20 0.44
HTT P42858 1/20 0.44
MAPK1 P28482 1/20 0.43
KDM4E B2RXH2 7/20 0.41
HSD17B10 Q99714 3/20 0.41
HPGD P15428 2/20 0.41
POLB P06746 1/20 0.41
TP53 P04637 1/20 0.41
KMT2A Q03164 4/20 0.39
LCK P06239 1/20 0.39
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39

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
SCHEMBL8874266 0.88 ALDH1A1 (0.50) SMN1; SMN2ALDH1A1HTTMAPK1KDM4E
SCHEMBL31633618 0.88 ALDH1A1 (0.50) SMN1; SMN2ALDH1A1HTTMAPK1KDM4E
SCHEMBL2381068 0.78 ALDH1A1 (0.52) SMN1; SMN2ALDH1A1HTTMAPK1KDM4E
SCHEMBL13590587 0.78 ALDH1A1 (0.45) SMN1; SMN2ALDH1A1MAPK1KDM4EHSD17B10
SCHEMBL15316168 0.76 KMT2A (0.50) SMN1; SMN2ALDH1A1HTTMAPK1KDM4E
SCHEMBL13531559 0.74 HSD17B10 (0.46) SMN1; SMN2ALDH1A1HTTMAPK1KDM4E
SCHEMBL6652987 0.74 KMT2A (0.45) SMN1; SMN2ALDH1A1HTTMAPK1KDM4E
SCHEMBL31264092 0.74 MEN1 (0.43) SMN1; SMN2ALDH1A1MAPK1KDM4EHSD17B10
SCHEMBL31264177 0.74 KDM4E (0.50) SMN1; SMN2ALDH1A1MAPK1KDM4EHSD17B10
SCHEMBL1890350 0.74 KDM4E (0.50) SMN1; SMN2ALDH1A1MAPK1KDM4EHSD17B10

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