SCHEMBL22820168

SCHEMBL22820168

Cc1ccccc1NC(=O)c1cccc(C(=O)Nc2cc(F)c(F)c(F)c2)c1F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.55
HSD17B10 Q99714 3/20 0.55
HPGD P15428 3/20 0.55
KDM4E B2RXH2 2/20 0.55
LMNA P02545 2/20 0.55
ALDH1A1 P00352 2/20 0.55
MAPK1 P28482 1/20 0.55
KDM4C Q9H3R0 1/20 0.55
RXFP1 Q9HBX9 1/20 0.51
MAPT P10636 2/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
PKM P14618 1/20 0.48
NPC1 O15118 1/20 0.48
TP53 P04637 1/20 0.48
TSHR P16473 1/20 0.48
RAB9A P51151 1/20 0.48

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
SCHEMBL22819946 0.89 HPGD (0.68) HTTHSD17B10HPGDKDM4ELMNA
SCHEMBL22820172 0.87 HPGD (0.64) HTTHSD17B10HPGDKDM4ELMNA
SCHEMBL22820091 0.86 HTT (0.65) HTTHSD17B10HPGDKDM4ELMNA
SCHEMBL23781713 0.86 HPGD (0.65) HPGDLMNAALDH1A1MAPTCYP1A2
SCHEMBL22819914 0.85 MEN1 (0.57) HTTHSD17B10HPGDKDM4ELMNA
SCHEMBL22819978 0.85 LMNA (0.57) HTTHSD17B10HPGDKDM4ELMNA
SCHEMBL22819972 0.83 KDM4E (0.60) HTTHSD17B10HPGDKDM4ELMNA
SCHEMBL22819945 0.83 NPC1 (0.55) HTTHSD17B10HPGDKDM4ELMNA
SCHEMBL22819924 0.83 HTT (0.54) HTTHSD17B10HPGDKDM4ELMNA
SCHEMBL22820217 0.82 LMNA (0.56) HTTHSD17B10HPGDKDM4ELMNA

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