SCHEMBL3650659

SCHEMBL3650659

Cc1cc(C)cc(Cc2csc(N3CCN(S(=O)(=O)c4ccc(Br)cc4Cl)CC3)n2)c1.O=S(=O)(c1ccc(Br)cc1Cl)N1CCN(c2nc(Cc3ccc(F)c(Cl)c3)cs2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
LPAR1 Q92633 2/20 0.34
LPAR2 Q9HBW0 2/20 0.34
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAPT P10636 2/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD11B1 P28845 1/20 0.34
SOS1 Q07889 1/20 0.34
ABL1 P00519 1/20 0.33
RIN1 Q13671 1/20 0.33
MAPK1 P28482 1/20 0.33
USP2 O75604 1/20 0.33
RECQL P46063 1/20 0.33

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
SCHEMBL3003595 0.94 ALDH1A1 (0.38) LPAR1LPAR2ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL3016879 0.93 HCRTR1 (0.40) HCRTR1HCRTR2LPAR1LPAR2ALDH1A1
SCHEMBL3017827 0.89 ALDH1A1 (0.38) LPAR1LPAR2ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL3016072 0.87 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2L3MBTL1MAPTMEN1
SCHEMBL3014308 0.87 ABL1 (0.38) LPAR1LPAR2MEN1LMNAKMT2A
SCHEMBL3016917 0.87 TRPV4 (0.37) LPAR1LPAR2ALDH1A1SMN1; SMN2MAPT
SCHEMBL3016449 0.86 LMNA (0.37) ALDH1A1SMN1; SMN2L3MBTL1MAPTMEN1
SCHEMBL3015598 0.86 TRPV4 (0.44) LPAR1LPAR2ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL3652946 0.86 CNR1 (0.42) ALDH1A1SMN1; SMN2L3MBTL1MAPTCNR1
SCHEMBL3651870 0.86 ALDH1A1 (0.37) LPAR1LPAR2ALDH1A1SMN1; SMN2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2188272-A2 PHENYL- AND BENZYLTHIAZOLYLPIPERAZINE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV Remynd (BE) 2010-05-26 EP disclosed
WO-2009019295-A2 PHENYL- AND BENZYLTHIAZOLYLPIPERAZINE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2009-02-12 WO disclosed