SCHEMBL7095476

SCHEMBL7095476

CN1CCc2c(sc(NC3CCCCO3)c2C(=O)O)C1CNC(=O)c1cn(Cc2ccccc2)c2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.42
P2RX7 Q99572 1/20 0.40
CNR2 P34972 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC2 Q92769 2/20 0.39
LMNA P02545 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KLKB1 P03952 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HTT P42858 1/20 0.36
ALDH1A1 P00352 1/20 0.36
RAB9A P51151 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CHRM1 P11229 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC10 Q969S8 1/20 0.36

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
SCHEMBL5773506 0.85 PTPN1 (0.47) CNR1CNR2HDAC1HDAC2LMNA
SCHEMBL7211425 0.76 L3MBTL1 (0.39) CNR1CNR2HDAC1HDAC2LMNA
SCHEMBL7539805 0.73 NPC1 (0.42) LMNASMN1; SMN2BCHEACHEMEN1
SCHEMBL5770319 0.72 CHRM1 (0.47) KLKB1BCHEACHECHRM1
SCHEMBL7536570 0.72 ALDH1A1 (0.36) LMNAKLKB1SMN1; SMN2MEN1KMT2A
SCHEMBL7535029 0.71 GAA (0.42) LMNASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL5769433 0.70 PTPN1 (0.53) CNR1CNR2HDAC1HDAC2LMNA
SCHEMBL5770569 0.70 PTPN1 (0.53) CNR1CNR2HDAC1HDAC2LMNA
SCHEMBL7558300 0.70 KMT2A (0.42) MEN1KMT2AALDH1A1RAB9A
SCHEMBL7553313 0.68 KDM4E (0.43) HDAC1HDAC2LMNAACHEMEN1

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
EP-1301516-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK A/S (DK) 2003-04-16 EP disclosed