SCHEMBL6975901

SCHEMBL6975901

CC1(C)Oc2cc([N+](=O)[O-])c(NC(=O)Cc3ccccc3)cc2[C@@H](n2cccc2)[C@@H]1O

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.56
L3MBTL1 Q9Y468 2/20 0.46
PKM P14618 1/20 0.46
LMNA P02545 2/20 0.45
MAPT P10636 3/20 0.42
ALDH1A1 P00352 6/20 0.41
KMT2A Q03164 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
RAB9A P51151 2/20 0.38
MAPK1 P28482 1/20 0.38
NPC1 O15118 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 2/20 0.37
MEN1 O00255 2/20 0.37
CCR6 P51684 1/20 0.37
CDK2 P24941 1/20 0.37
GAA P10253 2/20 0.36

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
SCHEMBL6975895 1.00 KCNH2 (0.56) KCNH2L3MBTL1PKMLMNAMAPT
SCHEMBL6975891 1.00 KCNH2 (0.56) KCNH2L3MBTL1PKMLMNAMAPT
SCHEMBL8013773 0.88 KCNH2 (0.57) KCNH2L3MBTL1PKMLMNAMAPT
SCHEMBL7421839 0.88 KCNH2 (0.57) KCNH2L3MBTL1PKMLMNAMAPT
SCHEMBL7421837 0.88 KCNH2 (0.57) KCNH2L3MBTL1PKMLMNAMAPT
SCHEMBL27530717 0.86 HCAR3 (0.47) KCNH2MAPTALDH1A1KMT2ASMN1; SMN2
SCHEMBL6980817 0.82 KCNH2 (0.56) KCNH2L3MBTL1PKMLMNAMAPT
SCHEMBL6581308 0.79 KCNH2 (0.68) KCNH2L3MBTL1PKMLMNAMAPT
SCHEMBL6581297 0.79 KCNH2 (0.68) KCNH2L3MBTL1PKMLMNAMAPT
SCHEMBL6581304 0.79 KCNH2 (0.68) KCNH2L3MBTL1PKMLMNAMAPT

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-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