SCHEMBL28854201

SCHEMBL28854201

CC(N)CNCc1cc(CN(C)C)ccc1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.40
GABRB2 P47870 1/20 0.40
CYP2C9 P11712 1/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
G6PD P11413 1/20 0.39
PABPC1 P11940 1/20 0.39
KMT2A Q03164 1/20 0.39
HKDC1 Q2TB90 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ADRB2 P07550 2/20 0.38
HTT P42858 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
SCHEMBL18095782 0.84 ALOX15 (0.46) CYP2C9ALOX15HSD17B10KDM4EMEN1
SCHEMBL18095784 0.82 ALOX15 (0.51) CYP2C9ALOX15HSD17B10KDM4EMEN1
SCHEMBL19986425 0.81 ALOX15 (0.43) CYP2C9ALOX15HSD17B10KDM4EMEN1
SCHEMBL18095788 0.79 ALOX15 (0.44) CYP2C9ALOX15HSD17B10KDM4EMEN1
SCHEMBL18095789 0.78 HSD17B10 (0.46) CYP2C9ALOX15HSD17B10KDM4EMEN1
SCHEMBL29405336 0.77 ALDH1A1 (0.64) GABRA1GABRB2CYP2C9ALOX15HSD17B10
SCHEMBL1698928 0.77 ALDH1A1 (0.64) GABRA1GABRB2CYP2C9ALOX15HSD17B10
SCHEMBL19986424 0.76 ALOX15 (0.41) CYP2C9ALOX15HSD17B10KDM4EMEN1
SCHEMBL25118440 0.74 ALDH1A1 (0.50) GABRA1GABRB2CYP2C9ALOX15HSD17B10
Trientine SCHEMBL9401728 0.72 CYP2C9 (0.50) GABRA1GABRB2CYP2C9ALOX15HSD17B10

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
CN-107428911-A Amine for fast-curing epoxy resin composition SIKA技术股份公司 2017-12-01 CN disclosed