SCHEMBL28489015

SCHEMBL28489015

C=C(C(=O)O)C(N)c1ccco1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.50
MEN1 O00255 3/20 0.50
MAPT P10636 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
ALDH1A1 P00352 2/20 0.50
KDM4E B2RXH2 1/20 0.50
PTPN1 P18031 2/20 0.48
POLB P06746 2/20 0.48
PKM P14618 1/20 0.48
PTPN7 P35236 1/20 0.48
BLM P54132 1/20 0.48
ESR2 Q92731 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CYP2C19 P33261 3/20 0.44
ALOX5 P09917 2/20 0.41
AGTR1 P30556 1/20 0.41
RECQL P46063 2/20 0.40
MIF P14174 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HCAR2 Q8TDS4 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
SCHEMBL29950772 0.80 KMT2A (0.61) KMT2AMEN1MAPTTDP1ALDH1A1
SCHEMBL2455073 0.80 KMT2A (0.61) KMT2AMEN1MAPTTDP1ALDH1A1
SCHEMBL15049401 0.80 KMT2A (0.61) KMT2AMEN1MAPTTDP1ALDH1A1
SCHEMBL3972844 0.76 KMT2A (0.50) KMT2AMEN1MAPTTDP1ALDH1A1
SCHEMBL12640455 0.75 KMT2A (0.50) KMT2AMEN1MAPTTDP1ALDH1A1
SCHEMBL16204244 0.75 KMT2A (0.50) KMT2AMEN1MAPTTDP1ALDH1A1
SCHEMBL10338542 0.74 KMT2A (0.48) KMT2AMEN1MAPTTDP1ALDH1A1
SCHEMBL8074234 0.74 KMT2A (0.50) KMT2AMEN1MAPTTDP1ALDH1A1
SCHEMBL28483326 0.72 HPGD (0.47) MAPTALDH1A1KDM4EL3MBTL1CES2
SCHEMBL28578684 0.72 POLB (0.65) KMT2AMEN1MAPTTDP1ALDH1A1

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
CN-106967151-B Multi-site combination modified endomorphin analogue and synthesis and application thereof 兰州大学 2020-08-11 CN claimed