SCHEMBL17677339

SCHEMBL17677339

Cc1cc(C)nc(N2CC(C)C=N2)n1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.39
HSD17B10 Q99714 3/20 0.39
USP2 O75604 1/20 0.39
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HCRTR1 O43613 9/20 0.36
HCRTR2 O43614 9/20 0.36
HRH3 Q9Y5N1 1/20 0.34
GAA P10253 2/20 0.34
LMNA P02545 1/20 0.34
ALOX15 P16050 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL964130 0.69 KDM4E (0.45) KDM4EHSD17B10USP2HPGDNPSR1
SCHEMBL22906223 0.65 L3MBTL1 (0.38) KDM4EUSP2HPGDKMT2AMEN1
SCHEMBL15108582 0.65 KDM4E (0.62) KDM4EHSD17B10USP2HPGDNPSR1
SCHEMBL20976824 0.64 HCRTR1 (0.54) HCRTR1HCRTR2
SCHEMBL27452629 0.64 HCRTR1 (0.50) KDM4EHSD17B10USP2HPGDNPSR1
SCHEMBL1708189 0.63 KMT2A (0.56) KDM4EHSD17B10USP2HPGDNPSR1
SCHEMBL13033934 0.63 KMT2A (0.56) KDM4EHSD17B10USP2HPGDNPSR1
SCHEMBL21963537 0.63 HCRTR1 (0.51) HCRTR1HCRTR2
SCHEMBL29117985 0.63 HCRTR1 (0.51) HCRTR1HCRTR2
SCHEMBL19391639 0.62 ALOX5 (0.44) KDM4EKMT2AMEN1GAA

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-2250998-B1 SKIN WHITENING AGENT AND EXTERNAL PREPARATION FOR THE SKIN SHISEIDO CO LTD (JP) 2016-04-13 EP disclosed