SCHEMBL13475584

SCHEMBL13475584

O=C(c1ccc2cc3ccccc3cc2c1)c1ccc2cc3ccccc3cc2n1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 5/20 0.56
▸ HSD17B14 Q9BPX1 7/20 0.55
▸ CES2 O00748 1/20 0.47
▸ CES1 P23141 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ CLK1 P49759 1/20 0.44
▸ DYRK1A Q13627 1/20 0.44
▸ DYRK1B Q9Y463 1/20 0.44
▸ MGAM O43451 1/20 0.43
▸ IGFBP3 P17936 1/20 0.42

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
SCHEMBL13475586 0.97 CNR2 (0.56) CNR2HSD17B14CES2CES1KDM4E
SCHEMBL13475585 0.90 CNR2 (0.70) CNR2HSD17B14CES2CES1KDM4E
SCHEMBL13475583 0.88 CNR2 (0.55) CNR2HSD17B14CES2CES1KDM4E
SCHEMBL13475587 0.85 CNR2 (0.72) CNR2HSD17B14CES2CES1KDM4E
SCHEMBL13475581 0.83 CNR2 (0.64) CNR2HSD17B14KDM4EMEN1RAB9A
SCHEMBL13475578 0.80 CES2 (0.64) HSD17B14CES2CES1KDM4EMEN1
SCHEMBL29109649 0.80 CES2 (0.64) HSD17B14CES2CES1KDM4EMEN1
SCHEMBL12501532 0.79 MGAM (0.69) CNR2KDM4EMEN1NPC1RAB9A
SCHEMBL13475579 0.78 CES2 (0.68) HSD17B14CES2CES1KDM4EMEN1
SCHEMBL12405825 0.74 MEN1 (0.72) HSD17B14CES2CES1KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100033086-A1 POLYMER COMPOUND AND COMPOSITION CONTAINING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-02-11 — — US disclosed
US-20100033086-A1 POLYMER COMPOUND AND COMPOSITION CONTAINING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-02-11 — — US disclosed
EP-2123691-A1 POLYMER COMPOUND AND COMPOSITION CONTAINING THE SAME Sumitomo Chemical Company, Limited (JP) 2009-11-25 — — EP disclosed
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