SCHEMBL6510328

SCHEMBL6510328

Cc1cc(CN(CCC(=O)O)Cc2cccc(Sc3ccccc3)c2)cs1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.37
HTR6 P50406 1/20 0.37
MEP1B Q16820 2/20 0.37
SIRT2 Q8IXJ6 1/20 0.36
HDAC3 O15379 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC2 Q92769 2/20 0.36
HDAC8 Q9BY41 2/20 0.36
NCOR2 Q9Y618 2/20 0.36
LMNA P02545 1/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
AGTR2 P50052 2/20 0.35
HPGD P15428 1/20 0.34
PTPN1 P18031 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDM4E B2RXH2 1/20 0.34
FFAR1 O14842 1/20 0.34

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
SCHEMBL6511823 0.86 LTB4R (0.40) MEP1BHDAC3HDAC1HDAC2HDAC8
SCHEMBL6510768 0.86 ALDH1A1 (0.43) HTR2CHTR6MEP1BHDAC3HDAC1
SCHEMBL6508460 0.85 HTR2C (0.36) HTR2CHTR6MEP1BSIRT2HDAC3
SCHEMBL6511994 0.83 TSHR (0.50) FFAR1
SCHEMBL6518329 0.81 NPC1 (0.39) HTR2CHTR6MEP1BHDAC3HDAC1
SCHEMBL6509298 0.80 POLB (0.42) HDAC3HDAC1HDAC2HDAC8MAPT
SCHEMBL6510304 0.80 EGFR (0.42) HTR2CHTR6MEP1BMEN1MAPT
SCHEMBL6509305 0.80 ALDH1A1 (0.38) MEP1BLMNAMEN1MAPTKMT2A
SCHEMBL6510314 0.79 HPGD (0.40) HTR2CHTR6MEP1BMAPTHPGD
SCHEMBL6509442 0.79 RAB9A (0.41) HTR2CHTR6MEP1BHDAC3HDAC1

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