SCHEMBL22820172

SCHEMBL22820172

Cc1ccccc1NC(=O)c1cccc(C(=O)Nc2ccccc2)c1F

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.64
HTT P42858 3/20 0.59
HSD17B10 Q99714 3/20 0.59
ALDH1A1 P00352 3/20 0.59
LMNA P02545 2/20 0.59
KDM4E B2RXH2 1/20 0.59
MAPK1 P28482 1/20 0.59
KDM4C Q9H3R0 1/20 0.59
POLB P06746 1/20 0.55
RXFP1 Q9HBX9 1/20 0.54
KCNK3 O14649 1/20 0.54
KCNK9 Q9NPC2 1/20 0.54
MAPT P10636 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
TDP1 Q9NUW8 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.51

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 0.92 HPGD (0.68) HPGDHTTHSD17B10ALDH1A1LMNA
SCHEMBL22819978 0.92 LMNA (0.57) HPGDHTTHSD17B10ALDH1A1LMNA
SCHEMBL22819972 0.90 KDM4E (0.60) HPGDHTTHSD17B10ALDH1A1LMNA
SCHEMBL22819945 0.89 NPC1 (0.55) HPGDHTTHSD17B10ALDH1A1LMNA
SCHEMBL22819924 0.89 HTT (0.54) HPGDHTTHSD17B10ALDH1A1LMNA
SCHEMBL22819914 0.89 MEN1 (0.57) HPGDHTTHSD17B10ALDH1A1LMNA
SCHEMBL22820168 0.87 HTT (0.55) HPGDHTTHSD17B10ALDH1A1LMNA
SCHEMBL22819981 0.87 NPC1 (0.69) HPGDHTTALDH1A1LMNAKDM4E
SCHEMBL22820091 0.87 HTT (0.65) HPGDHTTHSD17B10ALDH1A1LMNA
SCHEMBL22820022 0.86 MEN1 (0.54) HPGDHTTALDH1A1LMNAKDM4E

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