SCHEMBL6516281

SCHEMBL6516281

Cc1cccc(CN(CCC(=O)O)Cc2cccc(Sc3ccc(F)cc3F)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 5/20 0.40
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
MAPK14 Q16539 5/20 0.38
CTSB P07858 1/20 0.38
MAPT P10636 2/20 0.36
PRMT1 Q99873 1/20 0.35
RAB9A P51151 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MEP1B Q16820 1/20 0.35
KMT2A Q03164 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
SCHEMBL6508920 0.90 RAB9A (0.41) SLC6A9LMNAPRMT1RAB9AALDH1A1
SCHEMBL6509513 0.88 SLC6A9 (0.41) SLC6A9LMNAMAPTALDH1A1HPGD
SCHEMBL6510665 0.87 MEP1B (0.39) SLC6A9LMNACTSBMAPTALDH1A1
SCHEMBL6510768 0.84 ALDH1A1 (0.43) LMNAMAPTRAB9AALDH1A1HPGD
SCHEMBL6515036 0.83 HPGD (0.41) SLC6A9LMNAMAPTPRMT1ALDH1A1
SCHEMBL6516317 0.81 FFAR4 (0.39) LMNAMAPTALDH1A1HPGDL3MBTL1
SCHEMBL6509305 0.80 ALDH1A1 (0.38) LMNAMAPTRAB9AALDH1A1HPGD
SCHEMBL6511874 0.80 AKR1B1 (0.43) SLC6A9TP53ALDH1A1HPGDL3MBTL1
SCHEMBL6509442 0.79 RAB9A (0.41) LMNARAB9AALDH1A1MEP1B
SCHEMBL6508797 0.79 ALDH1A1 (0.42) TP53CTSBMAPTALDH1A1HPGD

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