SCHEMBL3772669

SCHEMBL3772669

Cc1ccc(-c2csc(N3CCN(S(=O)(=O)c4cc(C(F)(F)F)ccc4Cl)CC3)n2)cc1C.O=S(=O)(c1cc(C(F)(F)F)ccc1Cl)N1CCN(c2nc(-c3ccc(F)c(F)c3)cs2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
MAPT P10636 6/20 0.45
LMNA P02545 4/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
MAPK1 P28482 3/20 0.45
TSHR P16473 2/20 0.45
ATM Q13315 1/20 0.45
USP2 O75604 1/20 0.43
RECQL P46063 1/20 0.43
HSD17B10 Q99714 1/20 0.43
RAB9A P51151 1/20 0.43
AR P10275 2/20 0.42
ALOX5AP P20292 2/20 0.40
FEN1 P39748 2/20 0.40
NPSR1 Q6W5P4 1/20 0.38
EGFR P00533 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL3009558 0.95 MEN1 (0.49) ALDH1A1SMN1; SMN2L3MBTL1MAPTLMNA
SCHEMBL3011114 0.94 SMN1; SMN2 (0.52) ALDH1A1SMN1; SMN2L3MBTL1MAPTLMNA
SCHEMBL3012132 0.92 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2L3MBTL1MAPTLMNA
SCHEMBL3003681 0.89 SMN1; SMN2 (0.52) ALDH1A1SMN1; SMN2L3MBTL1MAPTLMNA
SCHEMBL3007795 0.86 SMN1; SMN2 (0.53) ALDH1A1SMN1; SMN2L3MBTL1MAPTLMNA
SCHEMBL3013011 0.86 SMN1; SMN2 (0.54) ALDH1A1SMN1; SMN2L3MBTL1MAPTLMNA
SCHEMBL3011631 0.86 AR (0.54) ALDH1A1SMN1; SMN2L3MBTL1MAPTLMNA
SCHEMBL3011536 0.85 SMN1; SMN2 (0.50) ALDH1A1SMN1; SMN2L3MBTL1MAPTLMNA
SCHEMBL3652767 0.85 KMT2A (0.53) ALDH1A1SMN1; SMN2L3MBTL1MAPTLMNA
SCHEMBL3012064 0.84 MEN1 (0.51) ALDH1A1SMN1; SMN2L3MBTL1MAPTLMNA

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