SCHEMBL22820171

SCHEMBL22820171

O=C(Nc1ccccc1)c1cccc(C(=O)Nc2ccccc2Br)c1F

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 10/20 0.60
MEN1 O00255 8/20 0.60
NPC1 O15118 3/20 0.58
RAB9A P51151 3/20 0.58
HTT P42858 3/20 0.58
LMNA P02545 2/20 0.58
RXFP1 Q9HBX9 1/20 0.54
TDP1 Q9NUW8 2/20 0.51
USP2 O75604 1/20 0.51
MAPT P10636 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
METAP2 P50579 1/20 0.50
ALDH1A1 P00352 1/20 0.50
KDM4E B2RXH2 1/20 0.49
TP53 P04637 1/20 0.49
HPGD P15428 1/20 0.49
HSD17B10 Q99714 1/20 0.49

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
SCHEMBL22819976 0.92 LMNA (0.57) KMT2AMEN1NPC1RAB9ALMNA
SCHEMBL22820170 0.88 KMT2A (0.67) KMT2AMEN1NPC1RAB9AHTT
SCHEMBL22820075 0.85 HTT (0.61) KMT2AMEN1NPC1RAB9AHTT
SCHEMBL22820117 0.82 CYP1A2 (0.64) KMT2AMEN1NPC1RAB9ALMNA
SCHEMBL22820172 0.82 HPGD (0.64) KMT2AMEN1NPC1RAB9AHTT
SCHEMBL22819966 0.81 ALDH1A1 (0.70) KMT2AMEN1NPC1RAB9AHTT
SCHEMBL27879746 0.81 MEN1 (0.62) KMT2AMEN1NPC1RAB9ARXFP1
SCHEMBL22819969 0.80 KMT2A (0.60) KMT2AMEN1NPC1RAB9ATDP1
SCHEMBL3715237 0.80 KMT2A (0.68) KMT2AMEN1NPC1RAB9AHTT
SCHEMBL22819939 0.80 LMNA (0.70) KMT2AMEN1NPC1RAB9AHTT

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