SCHEMBL6259367

SCHEMBL6259367

CNC(Nc1cccc(C)c1)C(C)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.43
MAPT P10636 3/20 0.43
CYP1A2 P05177 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTT P42858 1/20 0.43
GAA P10253 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
KCNH3 Q9ULD8 1/20 0.40
SAE1 Q9UBE0 1/20 0.40
UBA2 Q9UBT2 1/20 0.40
POLB P06746 1/20 0.39

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
SCHEMBL1004460 0.80 MAPT (0.50) HSD17B10MAPTCYP1A2NPSR1CYP3A4
SCHEMBL27560495 0.77 MAPT (0.52) HSD17B10MAPTCYP1A2NPSR1CYP3A4
SCHEMBL632551 0.75 TDP1 (0.56) HSD17B10MAPTCYP1A2NPSR1CYP3A4
SCHEMBL31174454 0.75 TDP1 (0.56) HSD17B10MAPTCYP1A2NPSR1CYP3A4
SCHEMBL6261147 0.72 CYP1A2 (0.42) HSD17B10MAPTCYP1A2NPSR1CYP3A4
SCHEMBL10996019 0.72 MAPT (0.50) HSD17B10MAPTCYP1A2NPSR1CYP3A4
SCHEMBL27851104 0.71 MAPT (0.50) HSD17B10MAPTCYP1A2NPSR1CYP3A4
SCHEMBL29588182 0.70 NPSR1 (0.53) HSD17B10MAPTNPSR1GAASMN1; SMN2
SCHEMBL4431825 0.70 NPSR1 (0.53) HSD17B10MAPTNPSR1GAASMN1; SMN2
SCHEMBL4431827 0.70 NPSR1 (0.53) HSD17B10MAPTNPSR1GAASMN1; SMN2

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
WO-2005080319-A1 HYDRAZINO ALCOHOL DERIVATIVES USEFUL AS INHIBITORS OF COPPER-CONTAINING AMINE OXIDASES BIOTIE THERAPIES CORPORATION (FI) 2005-09-01 WO disclosed