SCHEMBL10237649

SCHEMBL10237649

CCC(C)C(C)N1CCN(CC)CC1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.34
CHRNA7 P36544 1/20 0.32
ALDH1A1 P00352 3/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
RAD52 P43351 1/20 0.31
GFER P55789 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
TP53 P04637 1/20 0.30

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
SCHEMBL13242285 0.81 KDM4E (0.36) KDM4ECHRNA7ALDH1A1SMN1; SMN2GAA
SCHEMBL14328689 0.81 KDM4E (0.36) KDM4ECHRNA7ALDH1A1SMN1; SMN2GAA
SCHEMBL14328675 0.81 KDM4E (0.36) KDM4ECHRNA7ALDH1A1SMN1; SMN2GAA
SCHEMBL14748126 0.79 MC4R (0.36) KDM4EALDH1A1
SCHEMBL14748115 0.78 SMN1; SMN2 (0.33) SMN1; SMN2
SCHEMBL20970560 0.77 KDM4E (0.37) KDM4ECHRNA7ALDH1A1SMN1; SMN2MEN1
SCHEMBL12850091 0.76 KDM4E (0.37) KDM4ECHRNA7ALDH1A1SMN1; SMN2GAA
SCHEMBL10284434 0.76 SMN1; SMN2 (0.36) SMN1; SMN2MAPTL3MBTL1
SCHEMBL19871771 0.76 SMN1; SMN2 (0.36) SMN1; SMN2MAPTL3MBTL1
SCHEMBL17482104 0.75 DAO (0.38) KDM4ECHRNA7ALDH1A1SMN1; SMN2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2389372-B1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS INC (US) 2015-09-09 EP disclosed
EP-2565193-A1 Compositions and methods for inhibition of the JAK pathway Rigel Pharmaceuticals, Inc. (US) 2013-03-06 EP disclosed
WO-2012015972-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2012-02-02 WO disclosed
WO-2010085684-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2010-07-29 WO disclosed