SCHEMBL7540170

SCHEMBL7540170

COc1ccc(N(C(C)=O)c2cc3c(cc2[N+](=O)[O-])OC(C)(C)C2OC32)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.40
ALDH1A1 P00352 7/20 0.38
KMT2A Q03164 4/20 0.38
MAPK1 P28482 3/20 0.38
MEN1 O00255 3/20 0.38
LMNA P02545 2/20 0.35
MAPT P10636 4/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 3/20 0.33
NPSR1 Q6W5P4 1/20 0.33
F2 P00734 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
RAF1 P04049 1/20 0.33
GFER P55789 1/20 0.33
PAX8 Q06710 1/20 0.33
TSHR P16473 1/20 0.33
DNMT3B Q9UBC3 4/20 0.33

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
SCHEMBL6584556 0.83 KCNH2 (0.41) KCNH2ALDH1A1KMT2AMAPK1MEN1
SCHEMBL6581298 0.81 KCNH2 (0.42) KCNH2ALDH1A1KMT2AMAPK1MEN1
SCHEMBL6579248 0.80 KCNH2 (0.42) KCNH2ALDH1A1KMT2AMAPK1MEN1
SCHEMBL6583582 0.75 KCNH2 (0.70) KCNH2ALDH1A1KMT2AMAPK1MEN1
SCHEMBL6583579 0.75 KCNH2 (0.70) KCNH2ALDH1A1KMT2AMAPK1MEN1
SCHEMBL2887116 0.74 ALDH1A1 (0.38) KCNH2ALDH1A1KMT2AMAPK1MEN1
SCHEMBL2882585 0.74 ALDH1A1 (0.38) KCNH2ALDH1A1KMT2AMAPK1MEN1
SCHEMBL2883779 0.74 ALDH1A1 (0.38) KCNH2ALDH1A1KMT2AMAPK1MEN1
SCHEMBL3947551 0.74 ALDH1A1 (0.38) KCNH2ALDH1A1KMT2AMAPK1MEN1
SCHEMBL2882586 0.74 ALDH1A1 (0.38) KCNH2ALDH1A1KMT2AMAPK1MEN1

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
EP-0934296-A1 CHROMAN DERIVATIVES NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1999-08-11 EP disclosed
WO-1998004542-A1 CHROMAN DERIVATIVES NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1998-02-05 WO disclosed