SCHEMBL14823445

SCHEMBL14823445

Cc1ccc(CNCCCN=N)c(O)c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 5/20 0.42
▸ CA2 P00918 5/20 0.42
▸ CA9 Q16790 4/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ MPO P05164 7/20 0.40
▸ SLC6A4 P31645 3/20 0.40
▸ CHRM2 P08172 2/20 0.36
▸ MAPT P10636 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ TRPA1 O75762 1/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SLC6A2 P23975 1/20 0.34

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
SCHEMBL20313355 0.81 CA12 (0.47) CA12CA2CA9KDM4ETSHR
SCHEMBL20313358 0.80 CA12 (0.44) CA12CA2CA9KDM4ETSHR
SCHEMBL20313356 0.79 CA12 (0.51) CA12CA2CA9KDM4ETSHR
SCHEMBL14845775 0.74 CA12 (0.35) CA12CA2CA9KDM4ETSHR
SCHEMBL14020589 0.70 TRPA1 (0.48) KDM4EHSD17B10SLC6A4MAPTSMN1; SMN2
SCHEMBL2795115 0.69 NPSR1 (0.55) CA12CA2CA9KDM4ETSHR
SCHEMBL24454069 0.67 AMY1A (0.47) CA12CA2CA9KDM4ETSHR
SCHEMBL11119500 0.67 CA12 (0.51) CA12CA2CA9KDM4ETSHR
SCHEMBL14606707 0.67 KMT2A (0.44) MAPTSMN1; SMN2TRPA1NPC1RAB9A
SCHEMBL7763179 0.66 NPC1 (0.49) KDM4EMAPTSMN1; SMN2TRPA1NPC1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8410237-B2 Cardanol based dimers and uses therefor CARDOLITE CORPORATION (US) 2013-04-02 — — US disclosed
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