SCHEMBL28304525

SCHEMBL28304525

c1cnc2ncccc2c1.c1cnc2ncccc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 4/20 0.55
CCR8 P51685 4/20 0.55
KDM4E B2RXH2 2/20 0.55
LMNA P02545 2/20 0.55
MMP2 P08253 2/20 0.55
TSHR P16473 2/20 0.55
CYP3A4 P08684 2/20 0.55
CCR5 P51681 2/20 0.55
GMNN O75496 1/20 0.55
TP53 P04637 1/20 0.55
HSP90AA1 P07900 1/20 0.55
CYP2D6 P10635 1/20 0.55
MAPT P10636 1/20 0.55
MMP9 P14780 1/20 0.55
ALOX15 P16050 1/20 0.55
NFKB1 P19838 1/20 0.55
MMP8 P22894 1/20 0.55
THPO P40225 1/20 0.55
MTOR P42345 1/20 0.55
HTT P42858 1/20 0.55

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
SCHEMBL29354893 1.00 CCR1 (0.55) CCR1CCR8KDM4ELMNAMMP2
SCHEMBL8193 1.00 CCR1 (0.55) CCR1CCR8KDM4ELMNAMMP2
SCHEMBL32685215 0.97 CCR1 (0.52) CCR1CCR8KDM4ELMNAMMP2
Hydrochloric Acid SCHEMBL2284189 0.97 CCR1 (0.52) CCR1CCR8KDM4ELMNAMMP2
Bromide SCHEMBL31044093 0.97 CCR1 (0.52) CCR1CCR8KDM4ELMNAMMP2
Hydrochloric Acid SCHEMBL16337846 0.97 CCR1 (0.52) CCR1CCR8KDM4ELMNAMMP2
Hydrochloric Acid SCHEMBL3710471 0.97 CCR1 (0.52) CCR1CCR8KDM4ELMNAMMP2
Hydrochloric Acid SCHEMBL3704753 0.97 CCR1 (0.52) CCR1CCR8KDM4ELMNAMMP2
Ammonia Solution, Strong SCHEMBL2732606 0.97 CCR1 (0.52) CCR1CCR8KDM4ELMNAMMP2
SCHEMBL10630210 0.97 CCR1 (0.52) CCR1CCR8KDM4ELMNAMMP2

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
CN-107915732-B Naphthyridines replaces anthracene derivant and organic electroluminescence device 北京鼎材科技有限公司 2019-06-21 CN claimed