SCHEMBL31026643

SCHEMBL31026643

C=C(F)C(=O)Oc1ccc2ccccc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.54
MEN1 O00255 3/20 0.54
MAPT P10636 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
ALDH1A1 P00352 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
HSD17B10 Q99714 1/20 0.49
BCHE P06276 1/20 0.48
PTPN7 P35236 1/20 0.46
MMP1 P03956 2/20 0.45
MMP12 P39900 1/20 0.45
KDM4E B2RXH2 1/20 0.45
FABP7 O15540 1/20 0.44
FABP3 P05413 1/20 0.44
FAAH O00519 1/20 0.44
EPHX1 P07099 1/20 0.44
MMP2 P08253 1/20 0.44
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43
PPARG P37231 3/20 0.43

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
SCHEMBL21881869 0.85 KMT2A (0.66) KMT2AMEN1MAPTTDP1ALDH1A1
SCHEMBL2604659 0.82 PLG (0.41) KMT2AMEN1MAPTTDP1ESR1
SCHEMBL21034654 0.82 KMT2A (0.47) KMT2AMEN1MAPTTDP1ALDH1A1
SCHEMBL31476932 0.82 ELANE (0.58) KMT2AMEN1MAPTTDP1ALDH1A1
SCHEMBL29801955 0.82 ELANE (0.58) KMT2AMEN1MAPTTDP1ALDH1A1
SCHEMBL36603 0.82 ELANE (0.58) KMT2AMEN1MAPTTDP1ALDH1A1
SCHEMBL18499918 0.82 KMT2A (0.54) KMT2AMEN1MAPTTDP1ALDH1A1
SCHEMBL19792603 0.81 KDM4E (0.56) KMT2AMEN1MAPTTDP1ALDH1A1
SCHEMBL19792604 0.80 KMT2A (0.39) KMT2AMEN1MAPTTDP1ALDH1A1
SCHEMBL7831761 0.79 KMT2A (0.56) 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-118221700-A Condensed ring aromatic compound, preparation method and application thereof 北京华森英诺生物科技有限公司 2024-06-21 CN disclosed