SCHEMBL5289604

SCHEMBL5289604

COc1ccc(C=O)c2c1N(Cc1ccccc1)C(=O)CC2.O=Cc1ccc(O)c2c1CCC(=O)N2Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.43
▸ EP300 Q09472 3/20 0.42
▸ MEN1 O00255 7/20 0.41
▸ KMT2A Q03164 7/20 0.41
▸ POLB P06746 3/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ ATM Q13315 2/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ ACHE P22303 2/20 0.41
▸ EGLN1 Q9GZT9 1/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ P4HB P07237 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ PAX8 Q06710 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ PDE4A P27815 1/20 0.39
▸ PDE4B Q07343 1/20 0.39
▸ PDE4C Q08493 1/20 0.39
▸ PDE4D Q08499 1/20 0.39

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
SCHEMBL97250 0.94 BRD4 (0.48) BRD4EP300MEN1KMT2APOLB
SCHEMBL5297293 0.92 BRD4 (0.47) BRD4EP300MEN1KMT2APOLB
SCHEMBL5297286 0.91 BRD4 (0.46) BRD4EP300MEN1KMT2APOLB
SCHEMBL98558 0.90 POLB (0.45) EP300MEN1KMT2APOLBL3MBTL1
SCHEMBL97131 0.81 ALDH1A1 (0.43) MEN1KMT2APOLBACHENPC1
SCHEMBL98450 0.78 ALDH1A1 (0.37) MEN1KMT2APOLBL3MBTL1ATM
SCHEMBL97451 0.77 BRD4 (0.35) BRD4POLBL3MBTL1ACHEPDE4A
SCHEMBL98191 0.74 MTNR1A (0.34) KMT2AATMALDH1A1
SCHEMBL96096 0.73 FAAH (0.43) BRD4POLBL3MBTL1ACHERAB9A
SCHEMBL98320 0.72 NAT1 (0.49) MEN1KMT2APOLBL3MBTL1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1797082-A1 CARBOSTYRIL COMPOUND Otsuka Pharmaceutical Company, Limited (JP) 2007-06-20 — — EP disclosed
WO-2006035954-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-04-06 — — WO disclosed
Send feedback