SCHEMBL22797153

SCHEMBL22797153

CNc1ccc(F)c2ncccc12

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GLO1 Q04760 3/20 0.49
SLC40A1 Q9NP59 4/20 0.49
KDM4E B2RXH2 6/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
MPI P34949 1/20 0.47
IDO1 P14902 2/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
NPC1 O15118 1/20 0.42
HSP90AA1 P07900 1/20 0.42
CKS1B P61024 2/20 0.42
SKP2 Q13309 2/20 0.42
HTR5A P47898 1/20 0.42

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
SCHEMBL21893492 0.86 SLC40A1 (0.52) GLO1SLC40A1KDM4EL3MBTL1
SCHEMBL19799374 0.85 MEN1 (0.51) GLO1SLC40A1L3MBTL1IDO1MEN1
SCHEMBL20265625 0.82 KDM4E (0.48) GLO1SLC40A1KDM4EL3MBTL1MPI
Hydrochloric Acid SCHEMBL20265677 0.81 KDM4E (0.47) GLO1SLC40A1KDM4EL3MBTL1MPI
SCHEMBL14820067 0.80 HTR1A (0.53) GLO1SLC40A1KDM4EL3MBTL1IDO1
SCHEMBL15217626 0.79 IDO1 (0.69) KDM4EL3MBTL1MPIIDO1TDP1
SCHEMBL18484920 0.79 SLC40A1 (0.49) GLO1SLC40A1KDM4EL3MBTL1IDO1
SCHEMBL19990071 0.78 KDM4E (0.70) SLC40A1KDM4EL3MBTL1MPIIDO1
SCHEMBL20840563 0.76 SLC40A1 (0.58) GLO1SLC40A1KDM4EL3MBTL1MPI
SCHEMBL15241122 0.76 HTR1A (0.56) KDM4EMEN1KMT2A

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-2020252151-A1 COT MODULATORS AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. (US) 2020-12-17 WO disclosed