SCHEMBL6206699

SCHEMBL6206699

CC1=C(C)c2nc3ccccc3nc2C(C)(C)C1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.41
ALDH1A1 P00352 4/20 0.41
GAA P10253 2/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPK1 P28482 2/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41
GLA P06280 1/20 0.41
HTT P42858 1/20 0.41
CDK5 Q00535 1/20 0.41
CDK5R1 Q15078 1/20 0.41
MAPT P10636 4/20 0.38
RAB9A P51151 4/20 0.38
NPC1 O15118 1/20 0.38
AHR P35869 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
NQO2 P16083 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
POLB P06746 1/20 0.34
BCHE P06276 1/20 0.33

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
SCHEMBL6193672 0.80 ALDH1A1 (0.41) SMN1; SMN2ALDH1A1GAAKDM4EMAPK1
SCHEMBL1520901 0.77 MAPT (0.39) SMN1; SMN2ALDH1A1GAAKDM4EMAPK1
SCHEMBL24349342 0.77 MAPT (0.46) SMN1; SMN2ALDH1A1GAAKDM4EMAPK1
SCHEMBL5710844 0.77 ALDH1A1 (0.37) SMN1; SMN2ALDH1A1GAAKDM4EMAPK1
SCHEMBL21226326 0.68 KMT2A (0.44) SMN1; SMN2ALDH1A1GAAKDM4EMAPK1
SCHEMBL24349372 0.64 KMT2A (0.41) SMN1; SMN2ALDH1A1GAAKDM4EMAPK1
SCHEMBL13686001 0.64 NOX1 (0.44) SMN1; SMN2ALDH1A1GAAKDM4EMAPK1
SCHEMBL17333584 0.63 MAPT (0.70) SMN1; SMN2ALDH1A1GAAKDM4EMAPK1
SCHEMBL24349346 0.62 ALDH1A1 (0.39) SMN1; SMN2ALDH1A1GAAKDM4EMAPK1
SCHEMBL24349354 0.62 MEN1 (0.43) SMN1; SMN2ALDH1A1GAAKDM4EMAPK1

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-1292268-B1 AGENT FOR DYEING KERATIN CONTAINING FIBERS HENKEL KGAA (DE) 2005-02-23 EP disclosed