SCHEMBL6515016

SCHEMBL6515016

Cc1ccc(F)c(CN(CCC(=O)O)Cc2cccc(Cc3ccccc3)c2)c1Cl

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
PKM P14618 1/20 0.41
HTT P42858 1/20 0.39
KDM4E B2RXH2 1/20 0.38
CD38 P28907 1/20 0.36
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MEP1B Q16820 2/20 0.35
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
LTA4H P09960 2/20 0.35
BCL2L1 Q07817 3/20 0.35
BAK1 Q16611 3/20 0.35
OPRK1 P41145 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
SCHEMBL6531028 0.85 LMNA (0.36) LMNAPKMHTTMEN1MAPT
SCHEMBL6508932 0.82 FFAR1 (0.42) ALDH1A1MEN1MAPTKMT2A
SCHEMBL6511182 0.81 LMNA (0.39) LMNAPKMHTTKDM4EBCL2L1
SCHEMBL6532106 0.81 BCL2L1 (0.42) LMNAPKMHTTKDM4EALDH1A1
SCHEMBL6511178 0.81 LMNA (0.39) LMNAPKMHTTKDM4EBCL2L1
SCHEMBL6511151 0.81 RAB9A (0.43) LMNAPKMHTTKDM4EALDH1A1
SCHEMBL6511657 0.79 HDAC3 (0.50) LMNAHTTKDM4EALDH1A1MEN1
SCHEMBL6510153 0.78 PKM (0.47) PKMHTTMEN1KMT2A
SCHEMBL6512357 0.78 TAS2R14 (0.43) LMNAHTTKDM4EALDH1A1MEN1
SCHEMBL6510202 0.78 NPC1 (0.41) ALDH1A1MEN1MAPTKMT2AMEP1B

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