SCHEMBL8874779

SCHEMBL8874779

CCOc1cc(C)c(NCCO)cc1N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.40
ALDH1A1 P00352 3/20 0.40
HSD17B10 Q99714 2/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPK1 P28482 2/20 0.40
MEN1 O00255 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
USP2 O75604 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
CREBBP Q92793 1/20 0.38
TP53 P04637 1/20 0.36
MITF O75030 1/20 0.36
THRB P10828 1/20 0.36
PDE4A P27815 2/20 0.35

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
SCHEMBL8873875 0.84 BMPR1B (0.39) POLBALDH1A1HSD17B10MAPTKDM4E
SCHEMBL22942219 0.78 BMPR1B (0.39) POLBALDH1A1HSD17B10MAPTKDM4E
SCHEMBL7587241 0.77 KDM4E (0.40) POLBALDH1A1HSD17B10MAPTKDM4E
SCHEMBL8874874 0.76 TDP1 (0.45) POLBALDH1A1MAPTKDM4EHPGD
SCHEMBL8874741 0.74 CYP2C19 (0.39) POLBALDH1A1HSD17B10MAPTKDM4E
SCHEMBL11142464 0.74 MAPT (0.49) POLBALDH1A1HSD17B10MAPTKDM4E
SCHEMBL8484537 0.74 TDP1 (0.60) POLBALDH1A1HSD17B10MAPTKDM4E
Hydrochloric Acid SCHEMBL8873600 0.73 GAA (0.39) POLBALDH1A1HSD17B10MAPTKDM4E
Hydrochloric Acid SCHEMBL11140483 0.73 GAA (0.51) POLBALDH1A1HSD17B10MAPTKDM4E
SCHEMBL148285 0.73 MAPT (0.53) POLBALDH1A1HSD17B10MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0687669-A1 Hair dyeing compositions and new 2-alkylamino-4-amino-1-alkylbenzenes Wella Aktiengesellschaft (DE) 1995-12-20 EP claimed
JP-8003121-A None JP disclosed
US-5645610-A COUPLER, DEVELOPER WELLA AKTIENGESELLSCHAFT (DE) 1997-07-08 US disclosed
JP-H083121-A OXIDATION HAIR DYE COMPOSITION AND NEW 2-ALKYLAMINO-4-AMINO-1-ALKYLBENZENE COMPOUNDS WELLA AG 1996-01-09 JP disclosed
EP-0687669-A1 Hair dyeing compositions and new 2-alkylamino-4-amino-1-alkylbenzenes Wella Aktiengesellschaft (DE) 1995-12-20 EP disclosed