SCHEMBL3375873

SCHEMBL3375873

Brn1ncc2cccnc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.55
KDM4D Q6B0I6 1/20 0.44
HTT P42858 2/20 0.38
MMP2 P08253 2/20 0.38
TSHR P16473 2/20 0.38
GMNN O75496 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
HSP90AA1 P07900 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 1/20 0.38
MMP9 P14780 1/20 0.38
ALOX15 P16050 1/20 0.38
NFKB1 P19838 1/20 0.38
MMP8 P22894 1/20 0.38
CCR1 P32246 1/20 0.38
THPO P40225 1/20 0.38
MTOR P42345 1/20 0.38
MMP13 P45452 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
SCHEMBL7008753 0.75 KDM4E (0.55) KDM4EKDM4DHTTMMP2TSHR
SCHEMBL256383 0.75 KDM4E (0.55) KDM4EKDM4DHTTMMP2TSHR
SCHEMBL21089903 0.75 KDM4E (0.59) KDM4EKDM4DHTTMMP2TSHR
SCHEMBL14895754 0.75 KDM4E (0.55) KDM4EKDM4DHTTMMP2TSHR
SCHEMBL17114770 0.75 KDM4E (0.55) KDM4EKDM4DHTTMMP2TSHR
SCHEMBL23227964 0.75 KDM4E (0.55) KDM4EKDM4DHTTMMP2TSHR
SCHEMBL22607399 0.71 KDM4E (0.50) KDM4EKDM4DHTTMMP2TSHR
SCHEMBL983824 0.71 KDM4E (0.50) KDM4EKDM4DCYP3A4CYP2D6CYP2C19
SCHEMBL9935772 0.71 KDM4E (0.50) KDM4EKDM4DHTTMMP2TSHR
SCHEMBL14016377 0.71 KDM4E (0.50) KDM4EKDM4DMTOR

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-2239262-A2 Fused ring heterocycle kinase modulators SGX Pharmaceuticals, Inc. (US) 2010-10-13 EP disclosed