SCHEMBL28136254

SCHEMBL28136254

[c]1ccccc1-c1ccc2c(ccc3cccnc32)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 5/20 0.42
CCR8 P51685 5/20 0.42
KDM4E B2RXH2 4/20 0.42
LMNA P02545 3/20 0.42
CCR5 P51681 3/20 0.42
MAPT P10636 2/20 0.42
MMP2 P08253 2/20 0.42
TSHR P16473 2/20 0.42
GMNN O75496 1/20 0.42
TP53 P04637 1/20 0.42
HSP90AA1 P07900 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
MMP9 P14780 1/20 0.42
ALOX15 P16050 1/20 0.42
NFKB1 P19838 1/20 0.42
MMP8 P22894 1/20 0.42
THPO P40225 1/20 0.42
MTOR P42345 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL713492 0.81 CCR1 (0.50) CCR1CCR8KDM4ELMNACCR5
SCHEMBL3776601 0.80 CYP1B1 (0.47) MAPTTSHRHIF1ATDP1ALDH1A1
SCHEMBL28135503 0.79 NPC1 (0.62) KDM4EMAPTTSHRTP53HSP90AA1
SCHEMBL21295700 0.79 ALDH1A1 (0.46) CYP3A4HTTALDH1A1NPC1RAB9A
SCHEMBL28274276 0.78 CCR1 (0.46) CCR1CCR8KDM4ELMNACCR5
SCHEMBL9958819 0.77 CCR1 (0.51) CCR1CCR8KDM4ELMNACCR5
SCHEMBL948858 0.76 GSTP1 (0.45) KDM4EMAPTTP53NFKB1SMN1; SMN2
SCHEMBL21295939 0.74 ESR1 (0.39) KDM4EMAPTCYP3A4ALOX15NFKB1
SCHEMBL28135502 0.74 CCR1 (0.42) CCR1CCR8KDM4ELMNACCR5
SCHEMBL17691861 0.74 LMNA (0.51) CCR1CCR8KDM4ELMNACCR5

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109311844-A Triaizine compounds, its manufacturing method and the organic electroluminescent device as constituent 东曹株式会社 2019-02-05 CN disclosed
CN-106573912-A Triazine compound, method for producing same, and application for same 东曹株式会社 2017-04-19 CN disclosed