SCHEMBL28874209

SCHEMBL28874209

[CH2]CC(C)Nc1ccccc1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
ABCC1 P33527 4/20 0.48
ALDH1A1 P00352 3/20 0.47
HPGD P15428 2/20 0.47
HSD17B10 Q99714 2/20 0.47
POLB P06746 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
CLCN2 P51788 1/20 0.47
CTDSP1 Q9GZU7 1/20 0.47
CFD P00746 1/20 0.47
KDM4E B2RXH2 2/20 0.46
AGTR1 P30556 1/20 0.46
RAB9A P51151 1/20 0.46
FABP4 P15090 2/20 0.46
AKR1B10 O60218 1/20 0.45
TRPA1 O75762 1/20 0.45
ABCB11 O95342 1/20 0.45
DHFR P00374 1/20 0.45
LMNA P02545 1/20 0.45

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
SCHEMBL1901606 0.88 CLCN2 (0.53) KMT2AMEN1ABCC1ALDH1A1HPGD
SCHEMBL8520231 0.84 POLB (0.55) KMT2AMEN1ABCC1ALDH1A1HPGD
SCHEMBL1899962 0.82 KMT2A (0.54) KMT2AMEN1ALDH1A1HPGDHSD17B10
SCHEMBL19750094 0.80 KMT2A (0.53) KMT2AMEN1ALDH1A1HPGDHSD17B10
SCHEMBL8520229 0.80 TRPM8 (0.47) KMT2AMEN1ABCC1ALDH1A1HPGD
SCHEMBL28874210 0.79 KMT2A (0.49) KMT2AMEN1ALDH1A1HPGDHSD17B10
SCHEMBL25465846 0.79 KMT2A (0.51) KMT2AMEN1ALDH1A1HPGDHSD17B10
SCHEMBL5512525 0.79 KMT2A (0.51) KMT2AMEN1ALDH1A1HPGDHSD17B10
SCHEMBL25465849 0.79 KMT2A (0.51) KMT2AMEN1ALDH1A1HPGDHSD17B10
SCHEMBL28564932 0.77 KDM4C (0.68) KMT2AMEN1ALDH1A1HPGDHSD17B10

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-115286652-A Preparation method of o-carborane indole and derivatives thereof 西南科技大学 2022-11-04 CN disclosed