SCHEMBL532994

SCHEMBL532994

Cc1cc(C)c(N2CCCC2)c(C)c1NC(=O)NS(=O)(=O)c1ccc(Cl)cc1.Cc1ccc(NC(=O)c2ccccc2-c2ccccc2)cc1N1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDH2 P48735 1/20 0.41
APOB P04114 2/20 0.41
MTTP P55157 2/20 0.41
NPY2R P49146 2/20 0.40
CREBBP Q92793 1/20 0.40
GPR27 Q9NS67 1/20 0.40
LMNA P02545 3/20 0.39
AVPR1A P37288 2/20 0.39
MEN1 O00255 3/20 0.38
MAPT P10636 3/20 0.38
KMT2A Q03164 3/20 0.38
GAA P10253 2/20 0.38
KDM4E B2RXH2 2/20 0.38
HTT P42858 2/20 0.38
XBP1 P17861 1/20 0.38
PAX8 Q06710 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
BCL2L1 Q07817 1/20 0.38
PRNP P04156 1/20 0.38
TEK Q02763 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
SCHEMBL532924 0.81 NLRP3 (0.50) LMNAMAPTKMT2AGAAKDM4E
SCHEMBL533307 0.79 F10 (0.43) LMNAMEN1MAPTKMT2AGAA
SCHEMBL533654 0.78 LMNA (0.60) MTTPNPY2RCREBBPLMNAAVPR1A
SCHEMBL532826 0.78 ALDH1A1 (0.47) NPY2RCREBBPLMNAAVPR1AMAPT
SCHEMBL532809 0.77 ALDH1A1 (0.46) NPY2RCREBBPLMNAMEN1MAPT
SCHEMBL532902 0.72 L3MBTL1 (0.43) MTTPNPY2RLMNAMEN1MAPT
SCHEMBL533571 0.71 CNR1 (0.51) LMNAMEN1MAPTKMT2AGAA
SCHEMBL533536 0.71 L3MBTL1 (0.49) LMNAMEN1MAPTKMT2AGAA
SCHEMBL5567398 0.71 MAPT (0.44) MTTPLMNAAVPR1AMEN1MAPT
SCHEMBL8320252 0.70 ALDH1A1 (0.46) NPY2RCREBBPLMNAMAPTGAA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2415760-A2 CCR-9 antagonists ENCYSIVE PHARMACEUTICALS, INC. (US) 2012-02-08 EP disclosed