SCHEMBL19413708

SCHEMBL19413708

C=N/C(C)=C\C=C(/C)c1cccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc4ccccc4c3)n2)c1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 12/20 0.38
▸ MAOA P21397 2/20 0.37
▸ MAOB P27338 2/20 0.37
▸ HSD17B1 P14061 1/20 0.37
▸ HSD17B2 P37059 1/20 0.37
▸ MAP4K4 O95819 1/20 0.34
▸ CSNK1G2 P78368 1/20 0.34
▸ CLK4 Q9HAZ1 1/20 0.34
▸ MKNK2 Q9HBH9 1/20 0.34
▸ MAP4K5 Q9Y4K4 1/20 0.34
▸ CTRC Q99895 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
SCHEMBL19044569 0.90 MEN1 (0.37) MAP4K4CSNK1G2CLK4MKNK2MAP4K5
SCHEMBL19053761 0.77 MAP4K4 (0.38) SIRT2MAOAMAOBHSD17B1HSD17B2
SCHEMBL19413710 0.75 SIRT2 (0.37) SIRT2MAOAMAOBHSD17B1HSD17B2
SCHEMBL20894863 0.70 SIRT2 (0.51) SIRT2HSD17B1HSD17B2CTRC
SCHEMBL24353250 0.69 HSD17B1 (0.59) SIRT2HSD17B1HSD17B2
SCHEMBL21667606 0.69 HSD17B1 (0.59) SIRT2HSD17B1HSD17B2
SCHEMBL21667461 0.69 HSD17B1 (0.59) SIRT2HSD17B1HSD17B2
SCHEMBL22186308 0.69 HSD17B1 (0.59) SIRT2HSD17B1HSD17B2
SCHEMBL24888973 0.68 PAX8 (0.44) MAOAMAOBHSD17B1HSD17B2CTRC
SCHEMBL18731737 0.67 MEN1 (0.61) HSD17B1HSD17B2

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-9780310-B2 Heterocyclic compound for organic electroluminescent device and its application TOSOH CORPORATION (JP) 2017-10-03 — — US disclosed
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