SCHEMBL6887634

SCHEMBL6887634

c1ccc2c(c1)CNCCNCc1ccccc1NCCN2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CD44 P16070 2/20 0.52
PNMT P11086 1/20 0.52
MAOB P27338 1/20 0.52
ALOX15 P16050 1/20 0.48
HSD17B10 Q99714 1/20 0.48
RYR2 Q92736 1/20 0.44
HTR5A P47898 2/20 0.41
HTR2C P28335 1/20 0.41
GAA P10253 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
OXTR P30559 1/20 0.38
MAPK1 P28482 1/20 0.37

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
SCHEMBL379799 1.00 CD44 (0.52) CD44PNMTMAOBALOX15HSD17B10
Hydrochloric Acid SCHEMBL7002945 0.98 CD44 (0.50) CD44PNMTMAOBALOX15HSD17B10
SCHEMBL8144398 0.87 CD44 (0.46) CD44PNMTMAOBALOX15HSD17B10
SCHEMBL18320611 0.85 PNMT (0.47) CD44PNMTMAOBALOX15HSD17B10
SCHEMBL5739939 0.80 HTR2C (0.62) CD44PNMTMAOBALOX15HSD17B10
SCHEMBL11852161 0.80 PNMT (0.75) CD44PNMTMAOBALOX15HSD17B10
1,2,3,4-Tetrahydroisoquinoline SCHEMBL28542017 0.79 PNMT (0.73) CD44PNMTMAOBALOX15HSD17B10
SCHEMBL29411963 0.79 ALOX15 (0.50) CD44PNMTMAOBALOX15HSD17B10
SCHEMBL124019 0.79 ALOX15 (0.50) CD44PNMTMAOBALOX15HSD17B10
SCHEMBL3757557 0.78 ALOX15 (0.41) CD44PNMTMAOBALOX15HSD17B10

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-2468801-B1 PROCESS FOR PRODUCING THERMOPLASTIC RESIN COMPOSITION, MOLDED OBJECT, AND LUMINESCENT OBJECT MITSUBISHI RAYON CO (JP) 2017-04-26 EP disclosed
US-8889785-B2 Production method of thermoplastic resin composition, molded body, and light emission body MITSUBISHI RAYON CO., LTD. (JP) 2014-11-18 US disclosed
US-20120214922-A1 PRODUCTION METHOD OF THERMOPLASTIC RESIN COMPOSITION, MOLDED BODY, AND LIGHT EMISSION BODY MITSUBISHI RAYON CO., LTD. (JP) 2012-08-23 US disclosed
US-6810575-B1 COMPRISES SUBSTRATE HAVING ON UPPER SURFACE A PLURALITY OF METAL OXIDE NEEDLES EXTENDING UPWARDLY OF SURFACE WITH THEIR CENTRAL AXES PARALLEL WITH EACH OTHER; NEEDLES HAVE SPECIFIC AVERAGE CIRCLE-BASED DIAMETER, ASPECT RATIO; CAPACITOR ASAHI KASAI CHEMICALS CORPORATION (JP) 2004-11-02 US disclosed