SCHEMBL6513938

SCHEMBL6513938

Cc1cccc(CN(CCC(=O)O)Cc2cccc(Cc3cccc(F)c3)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.44
FOLH1 Q04609 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
FFAR1 O14842 2/20 0.43
OPRM1 P35372 1/20 0.41
RIPK1 Q13546 1/20 0.41
IDH1 O75874 1/20 0.41
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
EGFR P00533 1/20 0.39
CSF1R P07333 1/20 0.39
LMNA P02545 1/20 0.39
MEP1B Q16820 1/20 0.39
HCAR2 Q8TDS4 1/20 0.39

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
SCHEMBL6511127 0.94 PKM (0.38) PKMFOLH1MEN1KMT2AFFAR1
SCHEMBL6516556 0.92 LTA4H (0.45) KMT2AFFAR1SMN1; SMN2HSP90AA1HSP90AB1
SCHEMBL6512357 0.90 TAS2R14 (0.43) MEN1KMT2AHSP90AA1LMNAMEP1B
SCHEMBL6510153 0.90 PKM (0.47) PKMFOLH1MEN1KMT2AFFAR1
SCHEMBL6511925 0.88 HTT (0.51) PKMMEN1KMT2AFFAR1RIPK1
SCHEMBL6512683 0.88 MEP1B (0.46) FFAR1HSP90AA1EGFRCSF1RMEP1B
SCHEMBL6508483 0.85 TSHR (0.45) KMT2AFFAR1RIPK1SMN1; SMN2HSP90AA1
SCHEMBL6509513 0.85 SLC6A9 (0.41) PKMFOLH1MEN1KMT2AFFAR1
SCHEMBL6513388 0.85 MEP1B (0.46) MEN1KMT2AFFAR1MAPTMEP1B
SCHEMBL6511878 0.85 FFAR1 (0.49) PKMFOLH1MEN1KMT2AFFAR1

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-2005097100-A2 ANTIBACTERIAL AGENTS PROLYSIS LTD. (GB) 2005-10-20 WO disclosed