SCHEMBL4611546

SCHEMBL4611546

C1=CCC(Nc2cc[nH]c2)CC1

nearest known ligand 0.31

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.31
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
ALOX15 P16050 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
ESR2 Q92731 1/20 0.30
HSD17B10 Q99714 1/20 0.30
POLB P06746 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
SCHEMBL6534113 0.79
SCHEMBL3401196 0.74 KDM4E (0.41) MEN1ALDH1A1MAPTHTTKMT2A
SCHEMBL2644657 0.74 CARM1 (0.39) PTGS2MEN1ALDH1A1MAPTALOX15
SCHEMBL21356705 0.72 HRH3 (0.36) POLB
SCHEMBL29884529 0.71 MAPK1 (0.42) POLB
SCHEMBL4613663 0.71 ADORA2A (0.38) POLB
SCHEMBL29883407 0.71 ADORA2A (0.38) POLB
SCHEMBL4613841 0.71 POLB (0.59) POLB
SCHEMBL29883404 0.69 JAK1 (0.35)
SCHEMBL11151263 0.68 EPHX1 (0.40) ALDH1A1HTT

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-1910358-A2 HETEROCYCLIC JANUS KINASE 3 INHIBITORS Astellas Pharma Inc. (JP) 2008-04-16 EP disclosed
WO-2007007919-A2 HETEROCYCLIC JANUS KINASE 3 INHIBITORS ASTELLAS PHARMA INC. (JP) 2007-01-18 WO disclosed