SCHEMBL8013773

SCHEMBL8013773

CC1(C)Oc2cc([N+](=O)[O-])c(NC(=O)Cc3ccccc3)cc2[C@@H](N2CCCC2)[C@@H]1O

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.57
PKM P14618 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 5/20 0.44
KMT2A Q03164 3/20 0.44
LMNA P02545 2/20 0.43
ABCB1 P08183 1/20 0.42
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
KCNQ2 O43526 1/20 0.39
GAA P10253 1/20 0.39
BRPF1 P55201 2/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
MAPK1 P28482 1/20 0.37
SIGMAR1 Q99720 1/20 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
SCHEMBL7421839 1.00 KCNH2 (0.57) KCNH2PKML3MBTL1ALDH1A1KMT2A
SCHEMBL7421837 1.00 KCNH2 (0.57) KCNH2PKML3MBTL1ALDH1A1KMT2A
SCHEMBL6975901 0.88 KCNH2 (0.56) KCNH2PKML3MBTL1ALDH1A1KMT2A
SCHEMBL6975895 0.88 KCNH2 (0.56) KCNH2PKML3MBTL1ALDH1A1KMT2A
SCHEMBL6975891 0.88 KCNH2 (0.56) KCNH2PKML3MBTL1ALDH1A1KMT2A
SCHEMBL6975515 0.87 HCAR3 (0.46) KCNH2PKML3MBTL1ALDH1A1KMT2A
SCHEMBL6975503 0.87 HCAR3 (0.46) KCNH2PKML3MBTL1ALDH1A1KMT2A
SCHEMBL6975510 0.87 HCAR3 (0.46) KCNH2PKML3MBTL1ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL11188921 0.84 KCNH2 (0.44) KCNH2ALDH1A1KMT2ALMNAABCB1
SCHEMBL11105597 0.84 KCNH2 (0.44) KCNH2PKMALDH1A1KMT2ALMNA

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-6066631-A Chroman derivatives NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2000-05-23 US disclosed