SCHEMBL5227933

SCHEMBL5227933

COc1ccc(C(=O)Nc2ccccc2NC(=O)c2ccc(-c3ccncc3)cc2)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.75
NPC1 O15118 3/20 0.69
RAB9A P51151 3/20 0.69
KMT2A Q03164 3/20 0.69
MEN1 O00255 2/20 0.69
POLB P06746 1/20 0.69
SNCA P37840 1/20 0.62
HDAC2 Q92769 2/20 0.62
HDAC3 O15379 1/20 0.62
HDAC4 P56524 1/20 0.62
HDAC1 Q13547 1/20 0.62
HDAC7 Q8WUI4 1/20 0.62
HDAC10 Q969S8 1/20 0.62
HDAC11 Q96DB2 1/20 0.62
HDAC8 Q9BY41 1/20 0.62
HDAC6 Q9UBN7 1/20 0.62
HDAC9 Q9UKV0 1/20 0.62
HDAC5 Q9UQL6 1/20 0.62
ALDH1A1 P00352 3/20 0.60
ABCG2 Q9UNQ0 1/20 0.59

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
SCHEMBL7388085 0.89 F10 (0.58) F10NPC1RAB9AKMT2AMEN1
SCHEMBL5226288 0.88 NPC1 (0.58) F10NPC1RAB9AKMT2AMEN1
Hydrochloric Acid SCHEMBL5223491 0.87 NPC1 (0.85) F10NPC1RAB9AKMT2AMEN1
SCHEMBL4578928 0.85 F10 (0.61) F10NPC1RAB9AKMT2AMEN1
SCHEMBL20284424 0.84 RAB9A (0.71) NPC1RAB9AKMT2AMEN1POLB
SCHEMBL14527345 0.84 SMN1; SMN2 (0.63) NPC1RAB9AKMT2AMEN1POLB
SCHEMBL3821744 0.84 F10 (0.93) F10NPC1RAB9AKMT2AMEN1
SCHEMBL1066986 0.83 HDAC2 (0.76) HDAC2HDAC3HDAC4HDAC1HDAC7
SCHEMBL5188942 0.82 NPC1 (1.00) F10NPC1RAB9AKMT2AMEN1
SCHEMBL14156007 0.80 F10 (0.55) F10NPC1RAB9AKMT2AMEN1

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