SCHEMBL30447151

SCHEMBL30447151

O=C(O)c1nc2c(ccc3cccnc32)c(-c2ccccc2)c1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
LMNA P02545 6/20 0.46
MAPT P10636 3/20 0.46
KDM4E B2RXH2 3/20 0.46
CCR1 P32246 2/20 0.46
CCR5 P51681 2/20 0.46
CCR8 P51685 2/20 0.46
CYP3A4 P08684 2/20 0.46
ALOX15 P16050 2/20 0.46
TSHR P16473 2/20 0.46
MMP2 P08253 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HTT P42858 2/20 0.46
GMNN O75496 1/20 0.46
TP53 P04637 1/20 0.46
HSP90AA1 P07900 1/20 0.46
CYP2D6 P10635 1/20 0.46
MMP9 P14780 1/20 0.46
NFKB1 P19838 1/20 0.46
MMP8 P22894 1/20 0.46

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
SCHEMBL10341127 0.81 KDM4E (0.46) ALDH1A1LMNAMAPTKDM4EALOX15
SCHEMBL27901048 0.81 LMNA (0.50) ALDH1A1LMNAMAPTKDM4ECCR1
SCHEMBL4767991 0.80 ALDH1A1 (0.45) ALDH1A1LMNAMAPTKDM4ECCR1
SCHEMBL9558125 0.80 KDM4E (0.47) ALDH1A1LMNAMAPTKDM4ECCR1
SCHEMBL28217837 0.79 KDM4E (0.44) ALDH1A1LMNAMAPTKDM4ECCR1
SCHEMBL21308996 0.78 CCR1 (0.50) ALDH1A1LMNAMAPTKDM4ECCR1
SCHEMBL16427120 0.76 CCR1 (0.61) ALDH1A1LMNAMAPTKDM4ECCR1
SCHEMBL20208381 0.75 LMNA (0.47) LMNAMAPTKDM4ECCR1CCR5
SCHEMBL31253019 0.75 KDM4E (0.49) ALDH1A1LMNAMAPTKDM4ECCR1
SCHEMBL30596581 0.75 CCR1 (0.50) ALDH1A1LMNAMAPTKDM4ECCR1

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-4178797-A1 LAMINATED GLASS WITH ANTI-COUNTERFEITING PROPERTIES Kuraray Europe GmbH (DE) 2023-05-17 EP disclosed