SCHEMBL11759552

SCHEMBL11759552

CN(C)c1ccc(N=Nc2ccc(N(C)C)cc2O)c(O)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 14/20 0.66
RIOK2 Q9BVS4 1/20 0.56
EGFR P00533 1/20 0.44
ALDH1A1 P00352 4/20 0.43
TSHR P16473 2/20 0.43
ALOX15 P16050 2/20 0.42
HSD17B10 Q99714 2/20 0.42
HPGD P15428 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
RGS12 O14924 1/20 0.42
USP2 O75604 1/20 0.42
POLB P06746 1/20 0.42
THRB P10828 1/20 0.42
PKM P14618 1/20 0.42
NFKB1 P19838 1/20 0.42
APEX1 P27695 1/20 0.42
MAPK1 P28482 1/20 0.42
BRCA1 P38398 1/20 0.42
RECQL P46063 1/20 0.42

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
SCHEMBL11759545 1.00 KCNH2 (0.66) KCNH2RIOK2EGFRALDH1A1TSHR
SCHEMBL13662908 0.89 KCNH2 (0.56) KCNH2RIOK2EGFRALDH1A1TSHR
SCHEMBL11414578 0.88 KCNH2 (0.62) KCNH2RIOK2EGFRALDH1A1TSHR
SCHEMBL11414575 0.88 KCNH2 (0.62) KCNH2RIOK2EGFRALDH1A1TSHR
SCHEMBL13662902 0.85 KCNH2 (0.52) KCNH2RIOK2ALDH1A1TSHRALOX15
SCHEMBL13662906 0.85 KCNH2 (0.52) KCNH2RIOK2ALDH1A1ALOX15HSD17B10
SCHEMBL20280048 0.85 KCNH2 (0.59) KCNH2RIOK2EGFRALDH1A1TSHR
SCHEMBL29914719 0.83 KCNH2 (0.50) KCNH2RIOK2ALDH1A1TSHRALOX15
SCHEMBL90533 0.83 KCNH2 (0.50) KCNH2RIOK2ALDH1A1TSHRALOX15
SCHEMBL13662921 0.82 KCNH2 (0.58) KCNH2RIOK2ALDH1A1TSHRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4055567-A Preparation of o,o'-dihydroxyazobenzenes from o-nitrophenols PHILLIPS PETROLEUM COMPANY (US) 1977-10-25 US claimed
US-4055567-A Preparation of o,o'-dihydroxyazobenzenes from o-nitrophenols PHILLIPS PETROLEUM COMPANY (US) 1977-10-25 US disclosed