SCHEMBL975005

SCHEMBL975005

C1=Cc2c(ccc3cc4ccccc4cc23)ON1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
HIF1A Q16665 1/20 0.35
CYP1B1 Q16678 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CA12 O43570 1/20 0.34
CA9 Q16790 1/20 0.34
ERBB2 P04626 1/20 0.33
CYP1A2 P05177 1/20 0.33
FYN P06241 1/20 0.33
MAOA P21397 1/20 0.33
ACHE P22303 1/20 0.33
AHR P35869 1/20 0.33
KDM4E B2RXH2 2/20 0.31
GAA P10253 2/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
LMNA P02545 1/20 0.31
GLA P06280 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL28937998 0.74 CA12 (0.39) ALDH1A1HSD17B10CA12CA9CYP1A2
Indole SCHEMBL29065921 0.73 TRPA1 (0.47) ALDH1A1HSD17B10CA12CA9CYP1A2
SCHEMBL28847307 0.70 CYP1A2 (0.44) ALDH1A1HIF1ACYP1B1HSD17B10CA12
SCHEMBL8680691 0.67 ALDH1A1 (0.48) ALDH1A1HIF1ACYP1B1HSD17B10CA12
SCHEMBL4853659 0.66 ALDH1A1 (0.72) ALDH1A1HIF1ACYP1B1HSD17B10CA9
SCHEMBL23664 0.66 ALDH1A1 (0.72) ALDH1A1HIF1ACYP1B1HSD17B10CA9
SCHEMBL4848746 0.66 ALDH1A1 (0.72) ALDH1A1HIF1ACYP1B1HSD17B10CA9
SCHEMBL29532882 0.66 ALDH1A1 (0.72) ALDH1A1HIF1ACYP1B1HSD17B10CA9
SCHEMBL6545915 0.65 ALDH1A1 (0.44) ALDH1A1HIF1ACYP1B1HSD17B10CA9
SCHEMBL8743449 0.65 ALDH1A1 (0.44) ALDH1A1HIF1ACYP1B1HSD17B10ERBB2

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
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