SCHEMBL8340595

SCHEMBL8340595

C=C(C)C(=O)C(CCC)CCSc1cc(O)c2c(c1N)C(=O)c1ccccc1C2=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 6/20 0.40
▸ KMT2A Q03164 6/20 0.40
▸ POLB P06746 3/20 0.40
▸ FGB P02675 1/20 0.40
▸ ADORA2A P29274 1/20 0.35
▸ MAPT P10636 4/20 0.34
▸ TDP1 Q9NUW8 3/20 0.34
▸ MAPK1 P28482 3/20 0.34
▸ HPGD P15428 2/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ MAOA P21397 2/20 0.34
▸ CYP1A1 P04798 2/20 0.34
▸ DAPK1 P53355 2/20 0.34
▸ TTR P02766 2/20 0.34
▸ BRCA1 P38398 2/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ HSPD1 P10809 1/20 0.34
▸ ALOX15 P16050 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
SCHEMBL9176658 0.77 MEN1 (0.51) MEN1KMT2APOLBFGBADORA2A
SCHEMBL9620077 0.75 MEN1 (0.50) MEN1KMT2APOLBFGBADORA2A
SCHEMBL31718809 0.75 MEN1 (0.50) MEN1KMT2APOLBFGBADORA2A
SCHEMBL10609299 0.74 MEN1 (0.45) MEN1KMT2APOLBFGBADORA2A
SCHEMBL13671214 0.74 MEN1 (0.45) MEN1KMT2APOLBFGBADORA2A
SCHEMBL11761460 0.70 MEN1 (0.46) MEN1KMT2APOLBFGBADORA2A
SCHEMBL11762190 0.70 ADORA2A (0.48) MEN1KMT2APOLBFGBADORA2A
SCHEMBL13671208 0.70 TERT (0.44) MEN1KMT2APOLBFGBADORA2A
SCHEMBL27755813 0.68 SOAT1 (0.50) MEN1KMT2AMAPTTDP1MAPK1
SCHEMBL10826224 0.67 ADORA2A (0.36) MEN1KMT2APOLBFGBADORA2A

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
US-5900445-A SUITABLE FOR BALLPOINT PENS BIC CORPORATION (US) 1999-05-04 — — US disclosed
US-5756561-A Erasable ink composition containing a graft-polymerized dye BIC CORPORATION (US) 1998-05-26 — — US disclosed
EP-0706095-A1 Liquid toners with hydrocarbon solvents MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-04-10 — — EP disclosed
US-4795794-A Processes for colored particles from polymerizable dyes XEROX CORPORATION (US) 1989-01-03 — — US disclosed
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