SCHEMBL15069641

SCHEMBL15069641

[CH2][CH]Nc1cnn2c(N)ccnc12

nearest known ligand 0.30

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SMPD3 Q9NY59 1/20 0.30
KDM4E B2RXH2 2/20 0.30
ALDH1A1 P00352 2/20 0.30
HPGD P15428 1/20 0.30
CLK4 Q9HAZ1 1/20 0.30

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
SCHEMBL3840759 0.73 TYK2 (0.34) KDM4ECLK4
SCHEMBL125285 0.73 NUDT1 (0.37) KDM4EALDH1A1CLK4
SCHEMBL125976 0.72 SMPD3 (0.50) SMPD3KDM4EALDH1A1HPGDCLK4
SCHEMBL15067525 0.72 SMPD3 (0.37) SMPD3KDM4EALDH1A1HPGDCLK4
Hydrochloric Acid SCHEMBL6805756 0.71 SMPD3 (0.48) SMPD3KDM4EALDH1A1HPGDCLK4
SCHEMBL32686016 0.69 KDM4E (0.56) SMPD3KDM4EALDH1A1HPGDCLK4
SCHEMBL30579310 0.69 SMPD3 (0.35) SMPD3KDM4EALDH1A1HPGDCLK4
SCHEMBL25495619 0.66 KDM4E (0.34) SMPD3KDM4EALDH1A1HPGDCLK4
SCHEMBL1369575 0.66 KDM4E (0.34) SMPD3KDM4EALDH1A1HPGDCLK4
SCHEMBL31548681 0.66 CHEK1 (0.40) SMPD3KDM4EALDH1A1HPGDCLK4

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-2013098335-A2 PROCESS FOR ALTERING THE APPEARANCE OF HAIR USING A COMPOSITION CONTAINING DYES AND NON-HYDROXIDE BASES L'OREAL (FR) 2013-07-04 WO disclosed