SCHEMBL3650996

SCHEMBL3650996

Cc1ccc(-c2csc(N3CCN(S(=O)(=O)c4ccc(OC(F)(F)F)cc4)CC3)n2)cc1C.O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCN(c2nc(-c3ccc(F)c(F)c3)cs2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
SMN1; SMN2 Q16637 5/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
MAPT P10636 6/20 0.56
USP2 O75604 1/20 0.56
RECQL P46063 1/20 0.56
HSD17B10 Q99714 1/20 0.56
HDAC3 O15379 2/20 0.47
HDAC4 P56524 2/20 0.47
HDAC1 Q13547 2/20 0.47
HDAC7 Q8WUI4 2/20 0.47
HDAC2 Q92769 2/20 0.47
HDAC10 Q969S8 2/20 0.47
HDAC11 Q96DB2 2/20 0.47
HDAC8 Q9BY41 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
HDAC9 Q9UKV0 2/20 0.47
HDAC5 Q9UQL6 2/20 0.47
POLB P06746 1/20 0.46
MAPK1 P28482 3/20 0.46

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
SCHEMBL3010350 0.95 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2L3MBTL1MAPTUSP2
SCHEMBL3014606 0.94 ALDH1A1 (0.63) ALDH1A1SMN1; SMN2L3MBTL1MAPTUSP2
SCHEMBL3008637 0.89 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2L3MBTL1MAPTUSP2
SCHEMBL3010340 0.87 SMN1; SMN2 (0.61) ALDH1A1SMN1; SMN2L3MBTL1MAPTUSP2
SCHEMBL3009477 0.85 ALDH1A1 (0.66) ALDH1A1SMN1; SMN2L3MBTL1MAPTUSP2
SCHEMBL3003612 0.85 MAPT (0.72) ALDH1A1SMN1; SMN2L3MBTL1MAPTUSP2
SCHEMBL3002815 0.84 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2L3MBTL1MAPTUSP2
SCHEMBL3013950 0.84 MAPT (0.67) ALDH1A1SMN1; SMN2L3MBTL1MAPTUSP2
SCHEMBL3013237 0.84 SMN1; SMN2 (0.80) ALDH1A1SMN1; SMN2L3MBTL1MAPTUSP2
SCHEMBL3014982 0.84 SMN1; SMN2 (0.69) ALDH1A1SMN1; SMN2L3MBTL1MAPTUSP2

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