SCHEMBL12913697

SCHEMBL12913697

Oc1ccc(N2COc3ccc4ccccc4c3C2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VDR P11473 1/20 0.63
KDM4E B2RXH2 7/20 0.57
MAPT P10636 7/20 0.57
GAA P10253 4/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 2/20 0.41
HPGD P15428 3/20 0.36
HSD17B10 Q99714 2/20 0.36
CYP1A2 P05177 1/20 0.36
GLA P06280 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
SIRT1 Q96EB6 1/20 0.36
ALDH1A1 P00352 4/20 0.36
HTT P42858 3/20 0.36
LMNA P02545 2/20 0.36
USP2 O75604 1/20 0.36
ALOX15 P16050 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ACLY P53396 1/20 0.35

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
SCHEMBL12913708 0.88 VDR (0.73) VDRKDM4EMAPTHPGDHSD17B10
SCHEMBL12913703 0.85 VDR (0.44) VDRKDM4EMAPTGAAKMT2A
SCHEMBL31079393 0.83 VDR (0.57) VDRKDM4EMAPTGAAKMT2A
SCHEMBL31079361 0.81 VDR (0.55) VDRKDM4EMAPTGAAHPGD
SCHEMBL14478835 0.80 VDR (0.59) VDRKDM4EMAPTGAAKMT2A
SCHEMBL12913695 0.78 GAA (0.49) VDRKDM4EMAPTGAAKMT2A
SCHEMBL15358726 0.76 VDR (0.53) VDRKDM4EMAPTGAAHSD17B10
SCHEMBL12913707 0.76 VDR (0.56) VDRKDM4EMAPTHSD17B10LMNA
SCHEMBL13901949 0.73 KDM4E (1.00) VDRKDM4EMAPTGAAHPGD
SCHEMBL12913699 0.72 GAA (0.45) VDRKDM4EMAPTGAAKMT2A

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