SCHEMBL3650314

SCHEMBL3650314

Cc1ccc(C)c(-c2csc(N3CCN(S(=O)(=O)c4c(F)c(Br)cc(F)c4Br)CC3)n2)c1.O=S(=O)(c1c(F)c(Br)cc(F)c1Br)N1CCN(c2nc(-c3ccc(Cl)cc3Cl)cs2)CC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AR P10275 6/20 0.47
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPT P10636 3/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
LMNA P02545 2/20 0.38
NFKB1 P19838 3/20 0.37
NFKB2 Q00653 3/20 0.37
RELA Q04206 3/20 0.37
MAPK1 P28482 2/20 0.37
USP2 O75604 1/20 0.36
RECQL P46063 1/20 0.36
HSD17B10 Q99714 1/20 0.36
POLB P06746 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL3007016 0.93 AR (0.53) ARALDH1A1SMN1; SMN2L3MBTL1MAPT
SCHEMBL3007789 0.92 AR (0.53) ARALDH1A1SMN1; SMN2L3MBTL1MAPT
SCHEMBL3654361 0.84 AR (0.52) ARALDH1A1SMN1; SMN2L3MBTL1MAPT
SCHEMBL3021143 0.84 AR (0.45) ARALDH1A1SMN1; SMN2L3MBTL1MAPT
SCHEMBL3011535 0.82 SMN1; SMN2 (0.55) ARALDH1A1SMN1; SMN2L3MBTL1MAPT
SCHEMBL3006456 0.82 SMN1; SMN2 (0.55) ARALDH1A1SMN1; SMN2L3MBTL1MAPT
SCHEMBL3653691 0.82 AR (0.51) ARALDH1A1SMN1; SMN2L3MBTL1MAPT
SCHEMBL3017709 0.81 AR (0.60) ARALDH1A1SMN1; SMN2L3MBTL1MAPT
SCHEMBL3016053 0.81 AR (0.46) ARALDH1A1SMN1; SMN2L3MBTL1MAPT
SCHEMBL3017661 0.80 SMN1; SMN2 (0.51) ARALDH1A1SMN1; SMN2L3MBTL1MAPT

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