SCHEMBL3653671

SCHEMBL3653671

CC(C)c1cc(C(C)C)c(S(=O)(=O)N2CCN(c3nc(-c4ccc(Cl)cc4)cs3)CC2)c(C(C)C)c1.CC(C)c1cc(C(C)C)c(S(=O)(=O)N2CCN(c3nc(-c4cccc(Br)c4)cs3)CC2)c(C(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.47
LMNA P02545 6/20 0.46
MAPK1 P28482 6/20 0.46
MEN1 O00255 6/20 0.46
KMT2A Q03164 6/20 0.46
SMN1; SMN2 Q16637 5/20 0.45
HSD17B10 Q99714 2/20 0.45
USP2 O75604 1/20 0.45
RECQL P46063 1/20 0.45
ALDH1A1 P00352 5/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NPSR1 Q6W5P4 2/20 0.42
TSHR P16473 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
GAA P10253 1/20 0.41
GBA1 P04062 1/20 0.41
HTT P42858 2/20 0.40
ITGB2 P05107 1/20 0.40
ICAM1 P05362 1/20 0.40

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
SCHEMBL3003952 0.94 MAPT (0.49) MAPTLMNAMAPK1MEN1KMT2A
SCHEMBL3011298 0.91 MAPT (0.55) MAPTLMNAMAPK1MEN1KMT2A
SCHEMBL3021331 0.86 MAPK1 (0.62) MAPTLMNAMAPK1MEN1KMT2A
SCHEMBL3018623 0.85 AR (0.53) MAPTLMNAMAPK1MEN1KMT2A
SCHEMBL3001185 0.85 SMN1; SMN2 (0.51) MAPTLMNAMAPK1MEN1KMT2A
SCHEMBL3016451 0.84 MAPT (0.50) MAPTLMNAMAPK1MEN1KMT2A
SCHEMBL3017577 0.83 SMN1; SMN2 (0.53) MAPTLMNAMAPK1MEN1KMT2A
SCHEMBL3009218 0.83 SMN1; SMN2 (0.45) MAPTLMNAMAPK1MEN1KMT2A
SCHEMBL3013827 0.83 SMN1; SMN2 (0.51) MAPTLMNAMAPK1MEN1KMT2A
SCHEMBL3013793 0.83 SMN1; SMN2 (0.53) MAPTLMNAMAPK1MEN1KMT2A

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