SCHEMBL8632275

SCHEMBL8632275

COC(c1ccc(Cl)cc1Cl)c1scnc1C

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
HTT P42858 1/20 0.38
IDO1 P14902 1/20 0.38
TDO2 P48775 1/20 0.38
P2RX7 Q99572 6/20 0.37
NPY1R P25929 1/20 0.36
TRPC5 Q9UL62 1/20 0.35
S1PR4 O95977 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
MAPT P10636 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CYP19A1 P11511 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL8633346 0.80 LMNA (0.40) LMNATP53HTTP2RX7NPY1R
SCHEMBL9026067 0.76 SLC6A2 (0.38) IDO1TDO2P2RX7
SCHEMBL8630064 0.71 IDO1 (0.36) IDO1TDO2P2RX7MEN1KMT2A
SCHEMBL9025932 0.70 SLC6A3 (0.42) LMNAHTTIDO1TDO2MAPT
SCHEMBL8634034 0.70 MEN1 (0.32) LMNAP2RX7MEN1KMT2AALDH1A1
SCHEMBL16212082 0.66 TP53 (0.55) LMNATP53HTTIDO1TDO2
SCHEMBL8634063 0.64 FFAR2 (0.38) LMNAMEN1KMT2AALDH1A1
SCHEMBL6203039 0.63 TP53 (0.52) LMNATP53HTTIDO1TDO2
SCHEMBL6203042 0.63 TP53 (0.52) LMNATP53HTTIDO1TDO2
SCHEMBL12281929 0.63 KDM4E (0.32) LMNAMEN1KMT2AALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5712299-A TREATMENT OF NEURODEGENERATIVE DISORDERS ASTRA AKTIEBOLAG (SE) 1998-01-27 US disclosed
EP-0707574-A1 NOVEL (1-PHENYL-1-HETEROCYCLYL)METHANOL AND (1-PHENYL-1-HETEROCYCLYL)METHYLAMINE DERIVATIVES Astra Aktiebolag (SE) 1996-04-24 EP disclosed
WO-1995001968-A1 NOVEL (1-PHENYL-1-HETEROCYCLYL)METHANOL AND (1-PHENYL-1-HETEROCYCLYL)METHYLAMINE DERIVATIVES ASTRA AKTIEBOLAG (SE) 1995-01-19 WO disclosed