SCHEMBL9398331

SCHEMBL9398331

COc1ccc(N)cc1NC(C)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 1/20 0.45
GFER P55789 1/20 0.45
ALDH1A1 P00352 5/20 0.42
KDM4E B2RXH2 3/20 0.42
USP2 O75604 1/20 0.42
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PYGL P06737 1/20 0.41
MAPT P10636 4/20 0.41
GAA P10253 3/20 0.41
MAPK1 P28482 2/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
NR4A1 P22736 1/20 0.40
CYP2D6 P10635 1/20 0.38
ADRA2A P08913 1/20 0.38
ADRA1A P35348 1/20 0.38
SLC22A3 O75751 1/20 0.38
ADRB2 P07550 1/20 0.38

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
SCHEMBL9520267 0.85 ALDH1A1 (0.37) RAD52GFERALDH1A1KDM4EUSP2
SCHEMBL11822318 0.81 GAA (0.49) ALDH1A1LMNASMN1; SMN2MAPTGAA
SCHEMBL22962403 0.81 ADRB2 (0.53) ALDH1A1USP2LMNASMN1; SMN2MAPT
SCHEMBL11301102 0.80 RAD52 (0.43) RAD52GFERALDH1A1KDM4EUSP2
SCHEMBL5707664 0.77 PDE10A (0.45) ALDH1A1KDM4EUSP2LMNAMAPT
SCHEMBL9464296 0.77 CASP1 (0.45) ALDH1A1KDM4ELMNASMN1; SMN2MAPT
SCHEMBL11344842 0.76 MAPT (0.52) RAD52GFERALDH1A1KDM4EUSP2
SCHEMBL25557097 0.76 ALDH1A1 (0.48) RAD52GFERALDH1A1KDM4EUSP2
SCHEMBL25891581 0.76 MAPT (0.45) RAD52GFERALDH1A1KDM4EUSP2
SCHEMBL9176862 0.75 KDM4E (0.35) KDM4ELMNASMN1; SMN2MAPK1CYP2D6

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
US-5368610-A Use of metal salts and chelates together with chlorites as oxidants in hair coloring CLAIROL INCORPORATED (US) 1994-11-29 US disclosed
EP-0621029-A1 Use of metal salts and chelates together with chlorites as oxidants in hair coloring Bristol-Myers Squibb Company (US) 1994-10-26 EP disclosed