SCHEMBL17915519

SCHEMBL17915519

O=C(CO)c1ccc2c(c1)nc(NC(=O)c1ccccc1)n2CCCc1ccccc1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EHMT2 Q96KQ7 2/20 0.83
▸ EHMT1 Q9H9B1 1/20 0.83
▸ KDM4E B2RXH2 4/20 0.56
▸ MEN1 O00255 3/20 0.56
▸ TSHR P16473 3/20 0.56
▸ KMT2A Q03164 3/20 0.56
▸ NPSR1 Q6W5P4 2/20 0.56
▸ HSD17B10 Q99714 2/20 0.56
▸ USP2 O75604 1/20 0.56
▸ LMNA P02545 1/20 0.56
▸ TP53 P04637 1/20 0.56
▸ HDAC1 Q13547 1/20 0.52
▸ HDAC8 Q9BY41 1/20 0.52
▸ ITK Q08881 6/20 0.52
▸ ADORA2A P29274 1/20 0.51
▸ RAB9A P51151 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ INSR P06213 1/20 0.48
▸ IRAK4 Q9NWZ3 4/20 0.48
▸ CLK2 P49760 2/20 0.48

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
SCHEMBL25302284 0.91 EHMT2 (1.00) EHMT2EHMT1KDM4EMEN1TSHR
SCHEMBL16569005 0.87 EHMT2 (1.00) EHMT2EHMT1KDM4EMEN1TSHR
SCHEMBL29349799 0.87 EHMT2 (1.00) EHMT2EHMT1KDM4EMEN1TSHR
SCHEMBL21437350 0.76 EHMT2 (0.65) EHMT2EHMT1KDM4EMEN1TSHR
SCHEMBL5097272 0.74 EHMT2 (0.62) EHMT2EHMT1KDM4EMEN1TSHR
SCHEMBL16463990 0.73 EHMT2 (0.64) EHMT2EHMT1KDM4EMEN1TSHR
SCHEMBL16463988 0.73 EHMT2 (0.77) EHMT2EHMT1KDM4EHDAC1HDAC8
SCHEMBL11703846 0.72 KDM4E (1.00) KDM4EMEN1TSHRKMT2ANPSR1
SCHEMBL25301895 0.71 ITK (0.59) EHMT2EHMT1KDM4EMEN1TSHR
SCHEMBL6577802 0.71 NR1H4 (0.62) MEN1KMT2ALMNATP53HDAC8

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-20160201063-A1 EPIGENETIC REGULATORS OF FRATAXIN RANA THERAPEUTICS, INC. (US) 2016-07-14 — — US disclosed
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