SCHEMBL3654378

SCHEMBL3654378

Cc1ccc(C)c(Cc2csc(N3CCN(S(=O)(=O)c4c(F)c(Br)cc(F)c4Br)CC3)n2)c1.Cc1cccc(Cc2csc(N3CCN(S(=O)(=O)c4c(F)c(Br)cc(F)c4Br)CC3)n2)c1C

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.35
USP2 O75604 2/20 0.35
RECQL P46063 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ALDH1A1 P00352 5/20 0.34
SMN1; SMN2 Q16637 4/20 0.34
L3MBTL1 Q9Y468 3/20 0.34
LMNA P02545 6/20 0.34
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
MAPK1 P28482 2/20 0.33
TSHR P16473 2/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
RAB9A P51151 1/20 0.32
TP53 P04637 2/20 0.31

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
SCHEMBL3003300 0.95 MAPT (0.38) MAPTUSP2RECQLHSD17B10ALDH1A1
SCHEMBL3015605 0.94 SMN1; SMN2 (0.36) MAPTUSP2RECQLHSD17B10ALDH1A1
SCHEMBL3018378 0.90 LMNA (0.38) MAPTUSP2RECQLHSD17B10ALDH1A1
SCHEMBL3017054 0.86 MEN1 (0.38) MAPTUSP2RECQLHSD17B10ALDH1A1
SCHEMBL3004059 0.84 MAPT (0.37) MAPTUSP2RECQLHSD17B10ALDH1A1
SCHEMBL3013890 0.84 PKM (0.43) MAPTUSP2RECQLHSD17B10ALDH1A1
SCHEMBL3017349 0.83 ALDH1A1 (0.37) MAPTUSP2RECQLHSD17B10ALDH1A1
SCHEMBL3014739 0.82 F2RL3 (0.32) SMN1; SMN2LMNAMEN1KMT2AMAPK1
SCHEMBL3007471 0.82 SMN1; SMN2 (0.40) MAPTUSP2RECQLHSD17B10ALDH1A1
SCHEMBL3016034 0.82 PKM (0.45) MAPTUSP2RECQLHSD17B10ALDH1A1

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