SCHEMBL28226173

SCHEMBL28226173

CN(O[SH](=O)=O)c1ccc2cc(C(=O)Nc3cccc(C(F)(F)c4ccncc4)c3)[nH]c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.39
▸ EGFR P00533 5/20 0.39
▸ PIK3CA P42336 4/20 0.39
▸ IDO1 P14902 1/20 0.39
▸ PLD2 O14939 1/20 0.38
▸ PLD1 Q13393 1/20 0.38
▸ KDR P35968 5/20 0.38
▸ FLT1 P17948 2/20 0.38
▸ ABL1 P00519 1/20 0.38
▸ CSF1R P07333 1/20 0.38
▸ PDGFRB P09619 1/20 0.38
▸ KIT P10721 1/20 0.38
▸ FLT4 P35916 1/20 0.38
▸ MAPK1 P28482 2/20 0.37
▸ IDE P14735 1/20 0.37
▸ MAPK10 P53779 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ LMNA P02545 1/20 0.36

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
SCHEMBL28225463 0.93 NPC1 (0.43) MAPTRXFP1EGFRPIK3CAPLD2
SCHEMBL28860919 0.87 RXFP1 (0.40) MAPTRXFP1EGFRPIK3CAPLD2
SCHEMBL28053768 0.83 NPC1 (0.43) MAPTEGFRPIK3CAIDO1KDR
SCHEMBL28226242 0.82 IDO1 (0.40) MAPTEGFRPIK3CAIDO1PLD2
SCHEMBL28226164 0.79 MAPT (0.42) MAPTEGFRPIK3CAIDO1PLD2
SCHEMBL16402023 0.78 MAPT (0.46) MAPTRXFP1EGFRPIK3CAIDO1
SCHEMBL28053874 0.78 EGFR (0.62) MAPTEGFRPIK3CASMN1; SMN2NPC1
SCHEMBL28225440 0.78 IDO1 (0.46) MAPTEGFRPIK3CAIDO1KDR
SCHEMBL28226165 0.75 EGFR (0.40) MAPTEGFRPIK3CAMAPK1SMN1; SMN2
SCHEMBL28225444 0.75 SIRT2 (0.41) MAPTEGFRPIK3CAMAPK1SMN1; SMN2

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-105283443-B Hete rocyclic derivatives and application thereof 株式会社C&C新药研究所 2018-08-17 — — CN claimed
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