SCHEMBL28060146

SCHEMBL28060146

CCOc1ccc(N)c(N)c1N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.55
ALDH1A1 P00352 3/20 0.55
KDM4E B2RXH2 3/20 0.55
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
POLB P06746 3/20 0.55
HSD17B10 Q99714 2/20 0.55
MAPK1 P28482 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
HPGD P15428 1/20 0.55
NPC1 O15118 2/20 0.47
USP2 O75604 2/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CREBBP Q92793 1/20 0.46
GAA P10253 2/20 0.46
TDP1 Q9NUW8 2/20 0.42
TSHR P16473 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
PDE4A P27815 2/20 0.41

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
SCHEMBL9793008 0.83 MAPT (0.52) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL28426852 0.83 MAPT (0.52) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL27494768 0.82 KDM4E (0.60) MAPTALDH1A1KDM4EMEN1KMT2A
Hydrochloric Acid SCHEMBL9793078 0.81 MAPT (0.50) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL1838872 0.80 ALDH1A1 (0.69) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL28069875 0.80 ALDH1A1 (0.47) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL8975781 0.79 KDM4E (0.49) MAPTALDH1A1KDM4EMEN1KMT2A
Hydrochloric Acid SCHEMBL16862196 0.79 MAPT (0.48) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL28965302 0.78 CYP1A2 (0.50) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL7930788 0.76 ALDH1A1 (0.64) MAPTALDH1A1KDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105916482-A Gradual hair color compositions and methods of use thereof 酷姆国际公司 2016-08-31 CN claimed
CN-105916482-A Gradual hair color compositions and methods of use thereof 酷姆国际公司 2016-08-31 CN disclosed
CN-105492078-A Method for evaluating hair color change UNILEVER NV 2016-04-13 CN disclosed