SCHEMBL3652504

SCHEMBL3652504

Cc1cc(C)c(S(=O)(=O)N2CCN(c3nc(Cc4cc(Cl)cc(Cl)c4)cs3)CC2)c(C)c1.Cc1cc(C)cc(Cc2csc(N3CCN(S(=O)(=O)c4c(C)cc(C)cc4C)CC3)n2)c1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
NPSR1 Q6W5P4 2/20 0.42
TSHR P16473 1/20 0.41
ALDH1A1 P00352 4/20 0.40
KMT2A Q03164 3/20 0.40
MAPT P10636 2/20 0.39
MEN1 O00255 2/20 0.39
MAPK1 P28482 1/20 0.39
EPHX2 P34913 4/20 0.38
GAA P10253 1/20 0.37
NPC1 O15118 1/20 0.37
PKM P14618 1/20 0.37

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
SCHEMBL3013128 0.98 KDM4E (0.44) KDM4ENPSR1TSHRALDH1A1KMT2A
SCHEMBL3020021 0.94 NPSR1 (0.47) KDM4ENPSR1TSHRALDH1A1KMT2A
SCHEMBL3017975 0.92 KDM4E (0.41) KDM4ENPSR1TSHRALDH1A1KMT2A
SCHEMBL3008378 0.89 EPHX2 (0.47) KDM4ENPSR1TSHRALDH1A1KMT2A
SCHEMBL3013725 0.89 ALDH1A1 (0.40) KDM4ENPSR1TSHRALDH1A1KMT2A
SCHEMBL3014339 0.88 KMT2A (0.43) KDM4ENPSR1ALDH1A1KMT2AMAPT
SCHEMBL3002536 0.86 EPHX2 (0.48) KDM4ENPSR1TSHRALDH1A1KMT2A
SCHEMBL3004672 0.86 NPSR1 (0.43) KDM4ENPSR1TSHRALDH1A1KMT2A
SCHEMBL2999629 0.86 NPSR1 (0.45) KDM4ENPSR1TSHRALDH1A1KMT2A
SCHEMBL3022608 0.86 KMT2A (0.45) KDM4ENPSR1TSHRALDH1A1KMT2A

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