SCHEMBL11272081

SCHEMBL11272081

Cc1cc(O)c(CN(C)C)cc1CN(C)C

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.71
KDM4E B2RXH2 5/20 0.71
MAPT P10636 4/20 0.71
TDP1 Q9NUW8 3/20 0.71
MEN1 O00255 2/20 0.71
POLB P06746 2/20 0.71
THRB P10828 2/20 0.71
KMT2A Q03164 2/20 0.71
HKDC1 Q2TB90 2/20 0.71
L3MBTL1 Q9Y468 2/20 0.71
G6PD P11413 2/20 0.71
GAA P10253 1/20 0.71
PABPC1 P11940 1/20 0.71
ALOX15 P16050 3/20 0.47
HSD17B10 Q99714 3/20 0.47
CYP2C9 P11712 2/20 0.47
MAPK1 P28482 3/20 0.43
HTT P42858 2/20 0.43
MCL1 Q07820 2/20 0.43
APEX1 P27695 1/20 0.43

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
SCHEMBL9054521 0.87 ALDH1A1 (0.58) ALDH1A1KDM4EMAPTTDP1MEN1
SCHEMBL4467416 0.84 ALDH1A1 (0.90) ALDH1A1KDM4EMAPTTDP1MEN1
SCHEMBL11127980 0.84 ALDH1A1 (1.00) ALDH1A1KDM4EMAPTTDP1MEN1
SCHEMBL24582730 0.76 ALDH1A1 (0.48) ALDH1A1KDM4EMAPTTDP1MEN1
SCHEMBL6450413 0.76 ALDH1A1 (0.74) ALDH1A1KDM4EMAPTTDP1MEN1
SCHEMBL10039928 0.76 ALDH1A1 (0.48) ALDH1A1KDM4EMAPTTDP1MEN1
SCHEMBL4004859 0.74 TDP1 (0.64) ALDH1A1KDM4EMAPTTDP1MEN1
SCHEMBL8389821 0.74 ALDH1A1 (0.71) ALDH1A1KDM4EMAPTTDP1MEN1
SCHEMBL6265084 0.72 TDP1 (0.61) ALDH1A1KDM4EMAPTTDP1MEN1
SCHEMBL1395531 0.72 ALDH1A1 (0.50) ALDH1A1KDM4EMAPTTDP1MEN1

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
US-4322304-A ANTIOXIDANTS PHILLIPS PETROLEUM COMPANY (US) 1982-03-30 US disclosed