SCHEMBL3655432

SCHEMBL3655432

CC(C)c1cc(C(C)C)c(S(=O)(=O)N2CCN(c3nc(-c4ccc(Cl)c(Cl)c4)cs3)CC2)c(C(C)C)c1.Cc1ccc(-c2csc(N3CCN(S(=O)(=O)c4c(C(C)C)cc(C(C)C)cc4C(C)C)CC3)n2)cc1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.48
SMN1; SMN2 Q16637 4/20 0.44
ALDH1A1 P00352 4/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAPK1 P28482 3/20 0.43
LMNA P02545 4/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
MAPT P10636 7/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
USP2 O75604 1/20 0.41
RECQL P46063 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ITGB2 P05107 1/20 0.39
ICAM1 P05362 1/20 0.39
ITGAL P20701 1/20 0.39
ABL1 P00519 1/20 0.38

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
SCHEMBL3018623 0.95 AR (0.53) ARSMN1; SMN2ALDH1A1L3MBTL1MAPK1
SCHEMBL3002220 0.95 SMN1; SMN2 (0.48) ARSMN1; SMN2ALDH1A1L3MBTL1MAPK1
SCHEMBL3013827 0.89 SMN1; SMN2 (0.51) ARSMN1; SMN2ALDH1A1L3MBTL1MAPK1
SCHEMBL3001185 0.87 SMN1; SMN2 (0.51) ARSMN1; SMN2ALDH1A1L3MBTL1MAPK1
SCHEMBL3011298 0.86 MAPT (0.55) ARSMN1; SMN2ALDH1A1L3MBTL1MAPK1
SCHEMBL3017577 0.85 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1L3MBTL1MAPK1LMNA
SCHEMBL3009218 0.84 SMN1; SMN2 (0.45) ARSMN1; SMN2ALDH1A1L3MBTL1MAPK1
SCHEMBL3654029 0.83 FABP4 (0.36) ARALDH1A1L3MBTL1MAPK1LMNA
SCHEMBL3013793 0.83 SMN1; SMN2 (0.53) ARSMN1; SMN2ALDH1A1L3MBTL1MAPK1
SCHEMBL3016451 0.83 MAPT (0.50) SMN1; SMN2ALDH1A1L3MBTL1MAPK1LMNA

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