SCHEMBL28844792

SCHEMBL28844792

CCOC(=O)C(C)=NNc1cc(Br)c(F)cc1F

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.44
GPR35 Q9HC97 1/20 0.38
GAA P10253 2/20 0.37
LMNA P02545 1/20 0.37
ABCB1 P08183 1/20 0.36
MEN1 O00255 5/20 0.35
KMT2A Q03164 5/20 0.35
THRB P10828 1/20 0.35
KYAT1 Q16773 1/20 0.34
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
POLB P06746 2/20 0.34
ALDH1A1 P00352 2/20 0.34
ATM Q13315 1/20 0.34
ALOX12 P18054 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDM4E B2RXH2 1/20 0.33
IDO1 P14902 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL28844618 0.84 MAPT (0.44) MAPTGPR35GAALMNAABCB1
SCHEMBL30396358 0.84 ABCB1 (0.45) MAPTGPR35GAALMNAABCB1
SCHEMBL19332557 0.83 MAPT (0.52) MAPTGAALMNAMEN1KMT2A
SCHEMBL2768155 0.83 MAPT (0.52) MAPTGAALMNAMEN1KMT2A
SCHEMBL29865413 0.82 MAPT (0.44) MAPTGPR35GAALMNAABCB1
SCHEMBL5356936 0.81 MAPT (0.47) MAPTGAALMNAABCB1MEN1
SCHEMBL5356932 0.81 MAPT (0.47) MAPTGAALMNAABCB1MEN1
SCHEMBL22760104 0.81 ABCB1 (0.42) MAPTGPR35GAALMNAABCB1
SCHEMBL215256 0.81 MAPT (0.43) MAPTGPR35GAALMNAMEN1
SCHEMBL2735962 0.81 MAPT (0.43) MAPTGPR35GAALMNAMEN1

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
CN-110483366-B Indole compound and preparation method, pharmaceutical composition and application thereof 中国医学科学院药物研究所 2022-09-16 CN disclosed