SCHEMBL3654299

SCHEMBL3654299

COc1ccc(-c2csc(N3CCN(S(=O)(=O)c4cc(Br)ccc4OC)CC3)n2)c(OC)c1.COc1ccc(OC)c(-c2csc(N3CCN(S(=O)(=O)c4cc(Br)ccc4OC)CC3)n2)c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
REV1 Q9UBZ9 1/20 0.51
GAA P10253 2/20 0.49
KMT2A Q03164 3/20 0.48
MAPT P10636 2/20 0.47
RECQL P46063 2/20 0.47
USP2 O75604 2/20 0.47
HSD17B10 Q99714 1/20 0.47
ALDH1A1 P00352 4/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
KDM4E B2RXH2 1/20 0.46
AR P10275 1/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
MAPK1 P28482 1/20 0.44
CYP1A1 P04798 1/20 0.43
CYP1B1 Q16678 1/20 0.43
POLB P06746 1/20 0.43
ALOX15 P16050 1/20 0.41

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
SCHEMBL3015252 0.97 GAA (0.52) REV1GAAKMT2AMAPTRECQL
SCHEMBL15671706 0.96 REV1 (0.54) REV1GAAKMT2AMAPTRECQL
SCHEMBL3010901 0.91 KMT2A (0.57) REV1GAAKMT2AMAPTRECQL
SCHEMBL3022575 0.90 KMT2A (0.58) REV1GAAKMT2AMAPTRECQL
SCHEMBL3017824 0.89 MAPT (0.47) REV1GAAKMT2AMAPTRECQL
SCHEMBL3019394 0.89 REV1 (0.51) REV1GAAKMT2AMAPTRECQL
SCHEMBL3009903 0.88 GAA (0.54) REV1GAAKMT2AMAPTRECQL
SCHEMBL3010407 0.87 REV1 (0.57) REV1KMT2AMAPTRECQLUSP2
SCHEMBL3019105 0.87 ALDH1A1 (0.52) REV1KMT2AMAPTRECQLUSP2
SCHEMBL3011654 0.87 POLB (0.56) GAAKMT2AMAPTRECQLUSP2

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