SCHEMBL3763837

SCHEMBL3763837

COc1cc(Cc2csc(N3CCN(S(=O)(=O)c4cc(C(F)(F)F)ccc4Cl)CC3)n2)cc(OC)c1.O=S(=O)(c1cc(C(F)(F)F)ccc1Cl)N1CCN(c2nc(Cc3ccc(Cl)c(Cl)c3)cs2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 1/20 0.43
TSHR P16473 1/20 0.43
KMT2A Q03164 1/20 0.43
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
RAB9A P51151 1/20 0.41
HSD17B10 Q99714 3/20 0.39
USP2 O75604 1/20 0.38
MAPT P10636 1/20 0.38
RECQL P46063 1/20 0.38
HTR6 P50406 2/20 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
CNR2 P34972 1/20 0.37
LMNA P02545 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
SCHEMBL3018135 0.96 ALDH1A1 (0.46) ALDH1A1MEN1TSHRKMT2AATM
SCHEMBL3010628 0.92 L3MBTL1 (0.50) ALDH1A1MEN1TSHRKMT2AATM
SCHEMBL3008296 0.91 ALDH1A1 (0.46) ALDH1A1MEN1TSHRKMT2AATM
SCHEMBL3019810 0.91 HSD17B10 (0.46) ALDH1A1MEN1TSHRKMT2AATM
SCHEMBL3644344 0.88 ALDH1A1 (0.43) ALDH1A1MEN1TSHRKMT2AATM
SCHEMBL3021657 0.88 ALDH1A1 (0.45) ALDH1A1MEN1TSHRKMT2AATM
SCHEMBL3008397 0.86 ALDH1A1 (0.45) ALDH1A1MEN1TSHRKMT2AATM
SCHEMBL3014834 0.86 ALDH1A1 (0.47) ALDH1A1MEN1TSHRKMT2AATM
SCHEMBL3004887 0.85 MEN1 (0.47) ALDH1A1MEN1TSHRKMT2AATM
SCHEMBL3012814 0.85 MEN1 (0.48) ALDH1A1MEN1TSHRKMT2AATM

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