SCHEMBL28397754

SCHEMBL28397754

CC(C)N(N=O)c1ccc(Nc2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.47
HSD17B10 Q99714 5/20 0.47
TSHR P16473 4/20 0.47
TDP1 Q9NUW8 4/20 0.47
CYP3A4 P08684 4/20 0.47
ALOX12 P18054 4/20 0.47
L3MBTL1 Q9Y468 4/20 0.47
HTT P42858 4/20 0.47
ALOX15 P16050 3/20 0.47
LMNA P02545 3/20 0.47
THRB P10828 1/20 0.47
RECQL P46063 1/20 0.47
ATM Q13315 1/20 0.47
MAPK1 P28482 3/20 0.45
PTGS1 P23219 1/20 0.45
SLC6A2 P23975 1/20 0.45
PTGS2 P35354 1/20 0.45
HTR2B P41595 1/20 0.45
MAPT P10636 7/20 0.45
MEN1 O00255 5/20 0.45

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
SCHEMBL11355172 0.83 ALDH1A1 (0.50) ALDH1A1HTTALOX15LMNAMEN1
SCHEMBL9877797 0.81 ALDH1A1 (0.36) ALDH1A1HSD17B10TSHRTDP1ALOX15
SCHEMBL7773457 0.79 ALDH1A1 (0.63) ALDH1A1HTTALOX15LMNAMAPT
SCHEMBL11466598 0.76 ALDH1A1 (0.55) ALDH1A1HSD17B10TSHRTDP1CYP3A4
SCHEMBL11466594 0.74 ALDH1A1 (0.53) ALDH1A1HSD17B10TSHRTDP1CYP3A4
SCHEMBL28633396 0.74 ALDH1A1 (0.55) ALDH1A1HSD17B10TSHRTDP1CYP3A4
SCHEMBL11729319 0.70 ALDH1A1 (0.50) ALDH1A1HSD17B10TSHRTDP1CYP3A4
Diphenylamine SCHEMBL28155201 0.70 HSD17B10 (0.67) ALDH1A1HSD17B10TSHRTDP1CYP3A4
SCHEMBL6077975 0.69 ALDH1A1 (0.43) ALDH1A1TSHRALOX15LMNAPTGS2
SCHEMBL9878147 0.69

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-107209309-B Polymerizable composition and optically anisotropic body using the same DIC株式会社 2020-06-02 CN disclosed