SCHEMBL3650646

SCHEMBL3650646

CCCc1ccc(-c2csc(N3CCN(S(=O)(=O)c4ccccc4C(F)(F)F)CC3)n2)cc1.Cc1cccc(C)c1-c1csc(N2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.52
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
ALDH1A1 P00352 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
MAPT P10636 3/20 0.52
MAPK1 P28482 4/20 0.49
L3MBTL1 Q9Y468 2/20 0.45
HSD11B1 P28845 2/20 0.45
HTT P42858 2/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
GBA1 P04062 2/20 0.41
USP2 O75604 1/20 0.40
RECQL P46063 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PKM P14618 1/20 0.39
KCNQ1 P51787 1/20 0.39
LTA4H P09960 1/20 0.38
POLB P06746 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
SCHEMBL3116696 0.93 KMT2A (0.56) LMNAMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL3019227 0.89 KMT2A (0.54) LMNAMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL3008167 0.86 KMT2A (0.58) LMNAMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL3649359 0.85 SMN1; SMN2 (0.55) LMNAMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL3651711 0.84 ALDH1A1 (0.53) LMNAMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL3016409 0.84 KMT2A (0.61) LMNAMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL3650332 0.83 ALDH1A1 (0.52) LMNAMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL3653902 0.82 HSD11B1 (0.45) LMNAMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL3016559 0.82 KMT2A (0.52) LMNAMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL3007681 0.82 LMNA (0.63) LMNAMEN1KMT2AALDH1A1SMN1; SMN2

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