SCHEMBL3776753

SCHEMBL3776753

COc1ccc(Cc2csc(N3CCN(S(=O)(=O)c4cc(C(F)(F)F)ccc4Cl)CC3)n2)c(OC)c1.O=S(=O)(c1cc(C(F)(F)F)ccc1Cl)N1CCN(c2nc(Cc3ccc(Cl)cc3Cl)cs2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
TSHR P16473 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
ATM Q13315 1/20 0.40
RAB9A P51151 1/20 0.39
HSD17B10 Q99714 3/20 0.38
MAPT P10636 3/20 0.38
USP2 O75604 2/20 0.38
RECQL P46063 2/20 0.38
LMNA P02545 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
POLB P06746 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HTT P42858 1/20 0.37
ACLY P53396 1/20 0.36

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
SCHEMBL3012172 0.96 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1TSHRL3MBTL1
SCHEMBL3011267 0.90 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1TSHRL3MBTL1
SCHEMBL3016535 0.90 LMNA (0.44) ALDH1A1KMT2AMEN1TSHRL3MBTL1
SCHEMBL3013990 0.90 L3MBTL1 (0.49) ALDH1A1KMT2AMEN1TSHRL3MBTL1
SCHEMBL3653907 0.88 KMT2A (0.48) ALDH1A1KMT2AMEN1TSHRL3MBTL1
SCHEMBL3011026 0.87 RAB9A (0.47) ALDH1A1KMT2AMEN1TSHRL3MBTL1
SCHEMBL3016382 0.87 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1TSHRL3MBTL1
SCHEMBL3020101 0.87 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1TSHRL3MBTL1
SCHEMBL3648044 0.86 MAPT (0.42) ALDH1A1KMT2AMEN1TSHRL3MBTL1
SCHEMBL3008296 0.85 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1TSHRL3MBTL1

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