SCHEMBL12913699

SCHEMBL12913699

Oc1ccc(N2COc3c(ccc4cc5ccccc5cc34)C2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
MAPT P10636 3/20 0.39
LMNA P02545 2/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ALOX15 P16050 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39
VDR P11473 1/20 0.37
KDM4E B2RXH2 2/20 0.36
ATM Q13315 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP1A2 P05177 2/20 0.35
ESR1 P03372 2/20 0.34
ESR2 Q92731 2/20 0.34
HTR3A P46098 2/20 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
SCHEMBL12913695 0.88 GAA (0.49) GAAMEN1KMT2AMAPTLMNA
SCHEMBL12913702 0.82 MEN1 (0.49) GAAMEN1KMT2AMAPTALDH1A1
SCHEMBL12913709 0.81 VDR (0.43) GAAMEN1KMT2AMAPTALDH1A1
SCHEMBL12913698 0.77 MEN1 (0.52) GAAMEN1KMT2AHSD17B10VDR
SCHEMBL12913705 0.76 VDR (0.45) GAAMEN1KMT2AMAPTLMNA
SCHEMBL21160440 0.76 VDR (0.38) GAAMEN1KMT2AMAPTUSP2
SCHEMBL15892650 0.75 CYP1A2 (0.38) MAPTALDH1A1VDRL3MBTL1CYP1A2
SCHEMBL15892645 0.73 CYP1A2 (0.44) MAPTUSP2ALDH1A1HTTHSD17B10
SCHEMBL12913706 0.73 CYP1A2 (0.55) GAAMEN1KMT2AMAPTLMNA
SCHEMBL12913697 0.72 VDR (0.63) GAAMEN1KMT2AMAPTLMNA

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
US-7872079-B2 Naphthoxazine composition SEKISUI CHEMICAL CO., LTD. (JP) 2011-01-18 US disclosed
US-7872079-B2 Naphthoxazine composition SEKISUI CHEMICAL CO., LTD. (JP) 2011-01-18 US disclosed
US-20090240006-A1 A curable mixture of a naphthazine compound having a terminal aromatic ring bearing an hydroxyl group and a epoxy resins; high heat resistance; hardness; tensile strength;mechanical strength; dimensional stability; moldings; electronics; spacecraft; aircraft;automobile parts CASE WESTERN RESERVE UNIVERSITY (US) 2009-09-24 US disclosed
US-20090240006-A1 A curable mixture of a naphthazine compound having a terminal aromatic ring bearing an hydroxyl group and a epoxy resins; high heat resistance; hardness; tensile strength;mechanical strength; dimensional stability; moldings; electronics; spacecraft; aircraft;automobile parts CASE WESTERN RESERVE UNIVERSITY (US) 2009-09-24 US disclosed