SCHEMBL5221783

SCHEMBL5221783

COc1ccc(C(=O)Nc2ccccc2NC(=O)c2cccc(N)c2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.73
HDAC2 Q92769 4/20 0.68
HDAC1 Q13547 3/20 0.68
HDAC3 O15379 2/20 0.68
HDAC4 P56524 2/20 0.68
HDAC7 Q8WUI4 2/20 0.68
HDAC10 Q969S8 2/20 0.68
HDAC11 Q96DB2 2/20 0.68
HDAC8 Q9BY41 2/20 0.68
HDAC6 Q9UBN7 2/20 0.68
HDAC9 Q9UKV0 2/20 0.68
HDAC5 Q9UQL6 2/20 0.68
KMT2A Q03164 6/20 0.68
MEN1 O00255 3/20 0.68
RAB9A P51151 4/20 0.61
NPC1 O15118 3/20 0.61
KCNK9 Q9NPC2 1/20 0.60
ALDH1A1 P00352 3/20 0.59
SMN1; SMN2 Q16637 3/20 0.56
GAA P10253 2/20 0.56

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
SCHEMBL17744830 0.86 SMN1; SMN2 (0.68) HDAC2HDAC1HDAC3KMT2AMEN1
SCHEMBL3821744 0.85 F10 (0.93) F10HDAC2HDAC1HDAC3HDAC4
SCHEMBL17744840 0.85 SMN1; SMN2 (0.71) HDAC2HDAC1HDAC3KMT2AMEN1
SCHEMBL1352307 0.85 NPC1 (0.68) HDAC2HDAC1HDAC3HDAC4HDAC7
Hydrochloric Acid SCHEMBL6542696 0.83 F10 (0.68) F10HDAC2HDAC1HDAC3HDAC4
SCHEMBL31396756 0.83 CYP1A1 (0.67) KMT2AMEN1RAB9ANPC1ALDH1A1
SCHEMBL5226272 0.83 F10 (0.71) F10HDAC2HDAC1HDAC3HDAC4
SCHEMBL10627698 0.83 KMT2A (0.70) HDAC1HDAC8HDAC6KMT2AMEN1
SCHEMBL5224891 0.82 RAB9A (0.59) HDAC1HDAC8HDAC6KMT2AMEN1
SCHEMBL1337655 0.82 NPC1 (0.76) KMT2AMEN1RAB9ANPC1KCNK9

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
EP-1014962-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2007-06-27 EP disclosed
EP-1014962-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-07-05 EP disclosed
WO-1999000121-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1999-01-07 WO disclosed