SCHEMBL8891802

SCHEMBL8891802

N#Cc1ccccc1NC(=O)c1ccc(F)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.70
MEN1 O00255 2/20 0.70
LMNA P02545 3/20 0.58
NPC1 O15118 3/20 0.58
RAB9A P51151 3/20 0.58
HTT P42858 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2D6 P10635 1/20 0.55
TSHR P16473 1/20 0.55
CYP2C19 P33261 1/20 0.55
L3MBTL1 Q9Y468 2/20 0.54
ALDH1A1 P00352 1/20 0.54
GLA P06280 1/20 0.54
KDM4E B2RXH2 3/20 0.53
MAPT P10636 1/20 0.53
GAA P10253 1/20 0.53
NPSR1 Q6W5P4 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
MAOB P27338 1/20 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
SCHEMBL13210703 0.92 RAB9A (0.65) KMT2AMEN1LMNANPC1RAB9A
SCHEMBL1343798 0.87 KDM4E (0.63) KMT2AMEN1LMNANPC1RAB9A
SCHEMBL30881737 0.85 PARP1 (0.59) KMT2AMEN1LMNANPC1RAB9A
SCHEMBL95300 0.84 RAB9A (0.58) KMT2AMEN1LMNANPC1RAB9A
SCHEMBL2358357 0.83 MEN1 (1.00) KMT2AMEN1LMNANPC1RAB9A
SCHEMBL30900920 0.82 MEN1 (0.58) KMT2AMEN1LMNANPC1RAB9A
SCHEMBL18154023 0.82 HDAC1 (0.62) KMT2AMEN1LMNANPC1RAB9A
SCHEMBL7295247 0.82 RAB9A (0.62) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL4150112 0.82 KMT2A (0.55) KMT2AMEN1LMNANPC1RAB9A
SCHEMBL23309734 0.81 RAB9A (0.54) KMT2ALMNANPC1RAB9AHTT

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-1997030047-A1 FUNGICIDAL 1,2,4-OXADIAZOLES AND ANALOGUES AGREVO UK LIMITED (GB) 1997-08-21 WO disclosed