SCHEMBL6512708

SCHEMBL6512708

Cc1cc(CN(CCC(=O)O)Cc2ccc(Sc3ccccc3)cc2)ccc1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.45
LMNA P02545 1/20 0.39
PKM P14618 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
MEP1B Q16820 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
HDAC3 O15379 4/20 0.37
HDAC1 Q13547 4/20 0.37
HDAC2 Q92769 4/20 0.37
HDAC8 Q9BY41 4/20 0.37
NCOR2 Q9Y618 2/20 0.37
POLB P06746 1/20 0.36
MMP13 P45452 1/20 0.36
RORC P51449 1/20 0.36
BCL2L1 Q07817 1/20 0.35
BAK1 Q16611 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL6516489 0.85 BCL2L1 (0.39) HTTLMNAPKMMEN1MAPT
SCHEMBL6511912 0.84 HTT (0.45) HTTLMNAPKMFFAR4MEN1
SCHEMBL6511915 0.84 HTT (0.45) HTTLMNAPKMFFAR4MEN1
SCHEMBL6532106 0.84 BCL2L1 (0.42) HTTLMNAPKMMEN1MAPT
SCHEMBL6515095 0.83 FFAR1 (0.45) HTTPKMMEN1KMT2AMEP1B
SCHEMBL6511703 0.81 NPC1 (0.40) FFAR4MEN1MAPTKMT2AMEP1B
SCHEMBL6511749 0.81 HTT (0.38) HTTLMNAPKMFFAR4MEN1
SCHEMBL6509442 0.80 RAB9A (0.41) HTTLMNAPKMFFAR4MEP1B
SCHEMBL6510665 0.77 MEP1B (0.39) HTTLMNAMAPTKMT2AMEP1B
SCHEMBL6510768 0.77 ALDH1A1 (0.43) HTTLMNAFFAR4MEN1MAPT

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