SCHEMBL6508460

SCHEMBL6508460

Cc1csc(CN(CCC(=O)O)Cc2cccc(Sc3ccccc3)c2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.36
HTR6 P50406 1/20 0.36
MEP1B Q16820 3/20 0.36
FFAR1 O14842 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
MAOA P21397 1/20 0.36
LTB4R Q15722 2/20 0.36
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 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
SIRT2 Q8IXJ6 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
SCHEMBL6510768 0.87 ALDH1A1 (0.43) HTR2CHTR6MEP1BHDAC3HDAC1
SCHEMBL6512010 0.86 LTB4R (0.42) MEP1BFFAR1HDAC3HDAC1HDAC2
SCHEMBL6510328 0.85 HTR2C (0.37) HTR2CHTR6MEP1BFFAR1HDAC3
SCHEMBL6507744 0.85 ATM (0.36) MEP1BFFAR1MAOAMEN1KMT2A
SCHEMBL6511901 0.83 TSHR (0.49) FFAR1TSHR
SCHEMBL6518329 0.82 NPC1 (0.39) HTR2CHTR6MEP1BHDAC3HDAC1
SCHEMBL6509298 0.81 POLB (0.42) HDAC3HDAC1HDAC2HDAC8MAPT
SCHEMBL6511525 0.81 LTB4R (0.40) MEP1BFFAR1LTB4R
SCHEMBL6509305 0.81 ALDH1A1 (0.38) MEP1BMEN1MAPTKMT2AHPGD
SCHEMBL6511514 0.81 OPRM1 (0.37) MEP1BFFAR1LTB4RMEN1MAPT

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