SCHEMBL8543761

SCHEMBL8543761

N#C/C(=C\c1cccc([N+](=O)[O-])c1)C(N)=O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.70
KDM4E B2RXH2 6/20 0.70
ALDH1A1 P00352 6/20 0.70
SMN1; SMN2 Q16637 1/20 0.70
KMT2A Q03164 4/20 0.66
LMNA P02545 2/20 0.66
MCL1 Q07820 1/20 0.59
MEN1 O00255 3/20 0.58
HSP90AA1 P07900 1/20 0.58
PKM P14618 1/20 0.58
CCR6 P51684 1/20 0.58
CYP1A2 P05177 2/20 0.56
CYP3A4 P08684 1/20 0.56
HIF1A Q16665 1/20 0.56
GLO1 Q04760 1/20 0.56
HPGD P15428 2/20 0.55
MAPK1 P28482 1/20 0.55
RAB9A P51151 1/20 0.54
FBP1 P09467 1/20 0.54
EGFR P00533 1/20 0.54

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
SCHEMBL8543768 1.00 MAPT (0.70) MAPTKDM4EALDH1A1SMN1; SMN2KMT2A
SCHEMBL9364793 0.87 KDM4E (0.67) MAPTKDM4EALDH1A1SMN1; SMN2KMT2A
SCHEMBL9364797 0.87 KDM4E (0.67) MAPTKDM4EALDH1A1SMN1; SMN2KMT2A
SCHEMBL17397040 0.87 KDM4E (0.67) MAPTKDM4EALDH1A1SMN1; SMN2KMT2A
SCHEMBL17397039 0.87 KDM4E (0.67) MAPTKDM4EALDH1A1SMN1; SMN2KMT2A
SCHEMBL21457626 0.83 ALDH1A1 (0.76) MAPTKDM4EALDH1A1SMN1; SMN2KMT2A
SCHEMBL21457622 0.83 ALDH1A1 (0.76) MAPTKDM4EALDH1A1SMN1; SMN2KMT2A
SCHEMBL11448492 0.82 MAPT (1.00) MAPTKDM4EALDH1A1SMN1; SMN2KMT2A
SCHEMBL29894113 0.81 CYP1A2 (0.63) MAPTKDM4EALDH1A1KMT2ALMNA
SCHEMBL4943479 0.81 CYP1A2 (0.63) MAPTKDM4EALDH1A1KMT2ALMNA

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-0537949-B1 Antiproliferative derivatives of 4H-naphtho 1,2-b pyran LILLY CO ELI (GB) 1998-07-01 EP disclosed
US-5284868-A Naphthopyran derivatives; for autoimmune diseases, cancer ELI LILLY AND COMPANY (US) 1994-02-08 US disclosed
US-5281619-A Administering naphtho(1,2-B)pyran derivatives ELI LILLY AND COMPANY (US) 1994-01-25 US disclosed
EP-0537949-A1 Antiproliferative derivatives of 4H-naphtho 1,2-b pyran LILLY INDUSTRIES LIMITED (GB) 1993-04-21 EP disclosed