SCHEMBL6982472

SCHEMBL6982472

CC1(C)Oc2cc([N+](=O)[O-])c(NC(=O)Cc3ccc(-c4ccccc4)cc3)cc2C2OC21

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.55
L3MBTL1 Q9Y468 3/20 0.44
PKM P14618 1/20 0.44
LMNA P02545 3/20 0.43
KMT2A Q03164 5/20 0.41
MEN1 O00255 2/20 0.41
MAPK1 P28482 1/20 0.41
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
RORC P51449 1/20 0.37

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
SCHEMBL6980817 0.94 KCNH2 (0.56) KCNH2L3MBTL1PKMLMNAKMT2A
SCHEMBL6981760 0.88 KCNH2 (0.54) KCNH2L3MBTL1PKMLMNAKMT2A
SCHEMBL6583579 0.88 KCNH2 (0.70) KCNH2L3MBTL1PKMLMNAKMT2A
SCHEMBL6583582 0.88 KCNH2 (0.70) KCNH2L3MBTL1PKMLMNAKMT2A
SCHEMBL6163980 0.83 KCNH2 (0.47) KCNH2L3MBTL1PKMLMNAKMT2A
SCHEMBL6978258 0.82 HCAR3 (0.52) KCNH2KMT2AMEN1MAPK1MAPT
SCHEMBL13951737 0.80 KCNH2 (0.42) KCNH2PKMLMNAKMT2AMEN1
SCHEMBL14765557 0.80 KCNH2 (0.42) KCNH2PKMLMNAKMT2AMEN1
SCHEMBL12961840 0.80 KCNH2 (0.42) KCNH2PKMLMNAKMT2AMEN1
SCHEMBL6161775 0.80 KCNH2 (0.42) KCNH2PKMLMNAKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0934296-B1 CHROMAN DERIVATIVES NISSAN CHEMICAL IND LTD (JP) 2003-06-04 EP disclosed
US-6066631-A Chroman derivatives NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2000-05-23 US disclosed
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