SCHEMBL29954000

SCHEMBL29954000

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

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.65
MEN1 O00255 5/20 0.65
ALDH1A1 P00352 5/20 0.64
MAPT P10636 3/20 0.64
CYP1A2 P05177 3/20 0.61
RAB9A P51151 2/20 0.61
NPC1 O15118 2/20 0.61
CYP3A4 P08684 2/20 0.61
CYP2C9 P11712 2/20 0.61
CYP2C19 P33261 2/20 0.61
CYP2D6 P10635 1/20 0.61
TDP1 Q9NUW8 2/20 0.60
POLB P06746 2/20 0.58
ESR1 P03372 1/20 0.58
ALOX15 P16050 1/20 0.58
HTT P42858 1/20 0.58
HSD17B10 Q99714 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
CREBBP Q92793 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.57

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
SCHEMBL14253775 1.00 KMT2A (0.65) KMT2AMEN1ALDH1A1MAPTCYP1A2
SCHEMBL28172169 0.88 NPC1 (0.58) KMT2AMEN1ALDH1A1MAPTRAB9A
SCHEMBL13480137 0.87 SMN1; SMN2 (0.67) KMT2AMEN1ALDH1A1MAPTCYP1A2
SCHEMBL14253753 0.85 ALDH1A1 (0.64) KMT2AMEN1ALDH1A1MAPTCYP1A2
SCHEMBL5892567 0.84 KMT2A (0.62) KMT2AMEN1ALDH1A1MAPTCYP1A2
SCHEMBL5820518 0.84 L3MBTL1 (0.73) KMT2AMEN1ALDH1A1MAPTCYP1A2
SCHEMBL29951884 0.84 KMT2A (0.76) KMT2AMEN1ALDH1A1MAPTCYP1A2
SCHEMBL29951290 0.84 KMT2A (0.71) KMT2AMEN1ALDH1A1MAPTCYP1A2
SCHEMBL15332168 0.84 KMT2A (0.62) KMT2AMEN1ALDH1A1MAPTCYP1A2
SCHEMBL2556705 0.83 RAB9A (0.73) KMT2AMEN1ALDH1A1MAPTCYP1A2

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