SCHEMBL30171460

SCHEMBL30171460

c1cnc2c(c1)ccc1c3ccccc3oc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.50
LMNA P02545 3/20 0.50
MAPT P10636 3/20 0.50
CCR1 P32246 2/20 0.50
CCR5 P51681 2/20 0.50
CCR8 P51685 2/20 0.50
TSHR P16473 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
HTT P42858 2/20 0.50
CYP3A4 P08684 2/20 0.50
GMNN O75496 1/20 0.50
TP53 P04637 1/20 0.50
HSP90AA1 P07900 1/20 0.50
MMP2 P08253 1/20 0.50
CYP2D6 P10635 1/20 0.50
MMP9 P14780 1/20 0.50
ALOX15 P16050 1/20 0.50
NFKB1 P19838 1/20 0.50
MMP8 P22894 1/20 0.50
THPO P40225 1/20 0.50

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
SCHEMBL13935810 0.85 KDM4E (0.46) KDM4ELMNAMAPTCCR1CCR5
SCHEMBL24958053 0.85 NPC1 (0.42) KDM4ELMNAMAPTCCR1CCR5
SCHEMBL21030536 0.81 CYP1A2 (0.47) KDM4ELMNAMAPTCCR1CCR5
SCHEMBL24958127 0.81 AHR (0.47) KDM4ELMNAMAPTCCR1CCR5
SCHEMBL19767455 0.81 KDM4E (0.45) KDM4ELMNAMAPTCCR1CCR5
SCHEMBL25461575 0.80 KDM4E (0.40) KDM4ELMNAMAPTCCR1CCR5
SCHEMBL24959901 0.80 CCR1 (0.43) KDM4ELMNAMAPTCCR1CCR5
SCHEMBL24958236 0.80 AHR (0.53) KDM4ELMNAMAPTCCR1CCR5
SCHEMBL21622629 0.79 ALOX5 (0.45) KDM4ELMNAMAPTCCR1CCR5
SCHEMBL15393867 0.79 CCR1 (0.43) KDM4ELMNAMAPTCCR1CCR5

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
WO-2023282236-A1 RARE EARTH COMPLEX 東ソー株式会社 2023-01-12 WO disclosed