SCHEMBL3645260

SCHEMBL3645260

CC(C)c1cc(C(C)C)c(S(=O)(=O)N2CCN(c3nc(Cc4ccc(Cl)cc4)cs3)CC2)c(C(C)C)c1.COc1ccc(Cc2csc(N3CCN(S(=O)(=O)c4c(C(C)C)cc(C(C)C)cc4C(C)C)CC3)n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
LMNA P02545 4/20 0.42
MAPK1 P28482 3/20 0.42
POLB P06746 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 5/20 0.38
RECQL P46063 2/20 0.38
USP2 O75604 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KMT2A Q03164 5/20 0.38
FABP4 P15090 1/20 0.38
GAA P10253 2/20 0.38
ATM Q13315 1/20 0.37
TP53 P04637 1/20 0.36
ACLY P53396 1/20 0.36
TSHR P16473 1/20 0.35
PKM P14618 1/20 0.35
MEN1 O00255 2/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 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
SCHEMBL3018861 0.96 KMT2A (0.41) ALDH1A1LMNAMAPK1POLBSMN1; SMN2
SCHEMBL3006975 0.94 FABP4 (0.42) ALDH1A1LMNAMAPK1POLBSMN1; SMN2
SCHEMBL3009426 0.88 MEN1 (0.39) ALDH1A1LMNAMAPK1POLBMAPT
SCHEMBL3012065 0.88 MAPT (0.40) ALDH1A1LMNAMAPK1POLBSMN1; SMN2
SCHEMBL3652634 0.87 MAPT (0.37) ALDH1A1LMNAPOLBMAPTRECQL
SCHEMBL3017068 0.87 MAPT (0.40) ALDH1A1LMNAPOLBMAPTRECQL
SCHEMBL3022621 0.87 MAPT (0.40) ALDH1A1LMNAPOLBMAPTRECQL
SCHEMBL3017999 0.86 MAPT (0.47) ALDH1A1LMNAMAPK1POLBSMN1; SMN2
SCHEMBL3011364 0.86 LMNA (0.38) ALDH1A1LMNAMAPK1SMN1; SMN2KMT2A
SCHEMBL3650838 0.86 FABP4 (0.38) ALDH1A1LMNAMAPK1SMN1; SMN2MAPT

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