SCHEMBL3652633

SCHEMBL3652633

COc1ccc(Cc2csc(N3CCN(S(=O)(=O)c4cc(F)ccc4C)CC3)n2)c(OC)c1.Cc1ccc(F)cc1S(=O)(=O)N1CCN(c2nc(Cc3ccc(Cl)cc3Cl)cs2)CC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.43
LMNA P02545 5/20 0.43
RECQL P46063 2/20 0.43
TSHR P16473 2/20 0.43
USP2 O75604 2/20 0.43
HSD17B10 Q99714 1/20 0.43
ALDH1A1 P00352 3/20 0.40
TDP1 Q9NUW8 1/20 0.40
P2RX7 Q99572 1/20 0.40
TP53 P04637 2/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GAA P10253 1/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ACLY P53396 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL3006868 0.95 MAPT (0.47) MAPTLMNARECQLTSHRUSP2
SCHEMBL3009247 0.91 ALDH1A1 (0.44) MAPTLMNARECQLTSHRUSP2
SCHEMBL3648044 0.89 MAPT (0.42) MAPTLMNARECQLTSHRUSP2
SCHEMBL3653907 0.88 KMT2A (0.48) MAPTLMNARECQLTSHRUSP2
SCHEMBL3004272 0.88 MAPT (0.47) MAPTLMNARECQLTSHRUSP2
SCHEMBL3010103 0.88 MAPT (0.47) MAPTLMNARECQLTSHRUSP2
SCHEMBL3016382 0.87 ALDH1A1 (0.43) MAPTLMNARECQLTSHRUSP2
SCHEMBL3020101 0.87 ALDH1A1 (0.43) MAPTLMNARECQLTSHRUSP2
SCHEMBL3002468 0.86 MAPT (0.48) MAPTLMNARECQLTSHRUSP2
SCHEMBL3012765 0.86 ALDH1A1 (0.52) MAPTLMNARECQLTSHRUSP2

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