SCHEMBL22820182

SCHEMBL22820182

COc1ccccc1NC(=O)c1cccc(C(=O)Nc2ccccc2)c1F

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.66
MEN1 O00255 2/20 0.64
KDM4E B2RXH2 2/20 0.64
RAB9A P51151 3/20 0.61
KCNK3 O14649 2/20 0.59
KCNK9 Q9NPC2 2/20 0.59
METAP2 P50579 1/20 0.59
TSHR P16473 2/20 0.58
HSD17B10 Q99714 2/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
RXFP1 Q9HBX9 4/20 0.57
MAPT P10636 2/20 0.55
MAPK1 P28482 2/20 0.55
GAA P10253 1/20 0.55
ALDH1A1 P00352 1/20 0.54
LMNA P02545 1/20 0.54

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
SCHEMBL22819980 0.93 KMT2A (0.62) KMT2AMEN1KDM4ERAB9AKCNK3
SCHEMBL5226578 0.89 KCNK3 (0.66) KMT2AMEN1KDM4ERAB9AKCNK3
SCHEMBL22819921 0.84 RXFP1 (0.61) KCNK3KCNK9RXFP1
SCHEMBL22820172 0.82 HPGD (0.64) KMT2AMEN1KDM4ERAB9AKCNK3
SCHEMBL22820076 0.82 RAB9A (0.67) KMT2AMEN1KDM4ERAB9AKCNK9
SCHEMBL22820075 0.81 HTT (0.61) KMT2AMEN1KDM4ERAB9AHSD17B10
SCHEMBL22820037 0.81 HPGD (0.54) KMT2AMEN1KDM4ERAB9AKCNK3
SCHEMBL12368122 0.81 KMT2A (0.79) KMT2AMEN1KDM4ERAB9AKCNK3
SCHEMBL2362772 0.81 KMT2A (0.82) KMT2AMEN1KDM4ERAB9AKCNK3
SCHEMBL6802094 0.80 KMT2A (1.00) KMT2AMEN1KDM4ERAB9AMETAP2

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
WO-2020255425-A1 ANTI-HBV AGENT 国立研究開発法人理化学研究所 2020-12-24 WO disclosed