SCHEMBL7825336

SCHEMBL7825336

COCC1=NN=C(c2cccc3cccnc23)[N]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.41
LMNA P02545 3/20 0.41
HTT P42858 3/20 0.41
TSHR P16473 3/20 0.41
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MMP2 P08253 2/20 0.41
TP53 P04637 2/20 0.41
CCR1 P32246 2/20 0.41
CCR5 P51681 2/20 0.41
CCR8 P51685 2/20 0.41
GMNN O75496 1/20 0.41
HSP90AA1 P07900 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
MMP9 P14780 1/20 0.41
ALOX15 P16050 1/20 0.41
NFKB1 P19838 1/20 0.41
MMP8 P22894 1/20 0.41
THPO P40225 1/20 0.41

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
SCHEMBL7683523 0.72 DPP4 (0.37) KDM4ELMNAHTTTSHRMAPT
SCHEMBL3145084 0.71 RAB9A (0.53) KDM4ELMNAHTTTSHRMAPT
SCHEMBL7673942 0.69 CYP2A6 (0.44) KDM4ELMNAHTTMAPTSMN1; SMN2
SCHEMBL1282008 0.69 CCR1 (0.75) KDM4ELMNAHTTTSHRMAPT
SCHEMBL30184687 0.69 CCR1 (0.75) KDM4ELMNAHTTTSHRMAPT
SCHEMBL12853981 0.66 LMNA (0.68) KDM4ELMNAHTTTSHRMAPT
SCHEMBL8544603 0.65 PDE10A (0.57) KDM4ELMNAHTTTSHRMAPT
SCHEMBL28008054 0.63 KDM4E (0.58) KDM4ELMNAHTTTSHRMAPT
SCHEMBL2672167 0.63 KDM4E (0.51) KDM4ELMNAHTTTSHRMAPT
SCHEMBL17334526 0.63 CCR1 (0.62) KDM4ELMNAHTTTSHRMAPT

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-0885212-B1 QUINOXALINEDIONES PFIZER RES AND BR DEV COMPANY (IE) 2001-11-14 EP claimed