SCHEMBL7497380

SCHEMBL7497380

N=C(N)Nc1cccc(C(=O)Nc2ccc(/C=C(\NC(=O)c3ccccc3)C(=O)O)cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.50
POLB P06746 2/20 0.50
KCNK3 O14649 4/20 0.47
KCNK9 Q9NPC2 3/20 0.47
SIRT1 Q96EB6 1/20 0.46
MEN1 O00255 4/20 0.46
NPC1 O15118 1/20 0.46
HPSE Q9Y251 1/20 0.45
F2 P00734 1/20 0.44
PLG P00747 1/20 0.44
PLAU P00749 1/20 0.44
PLAT P00750 1/20 0.44
KLKB1 P03952 1/20 0.44
KLK1 P06870 1/20 0.44
PRSS1 P07477 1/20 0.44
MAPT P10636 1/20 0.44
SNCA P37840 1/20 0.44
SIRT2 Q8IXJ6 1/20 0.44
PARP1 P09874 1/20 0.44
PKM P14618 1/20 0.44

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
SCHEMBL7506955 1.00 KMT2A (0.50) KMT2APOLBKCNK3KCNK9SIRT1
SCHEMBL8539549 0.92 KDM4E (0.47) KMT2APOLBKCNK3KCNK9MEN1
SCHEMBL7506968 0.85 KMT2A (0.46) KMT2APOLBKCNK3KCNK9SIRT1
SCHEMBL8541777 0.83 ALDH1A1 (0.42) KMT2APOLBKCNK3KCNK9MEN1
SCHEMBL8539479 0.83 ALDH1A1 (0.46) KMT2APOLBKCNK3KCNK9MEN1
SCHEMBL8538091 0.83 KMT2A (0.46) KMT2AKCNK3KCNK9MEN1NPC1
SCHEMBL8542887 0.83 KCNK3 (0.46) KMT2AKCNK3KCNK9NPC1
SCHEMBL8520753 0.80 KMT2A (0.48) KMT2APOLBKCNK3KCNK9MEN1
SCHEMBL8539492 0.80 MAPT (0.49) KMT2APOLBKCNK3KCNK9MEN1
SCHEMBL8540369 0.79 KDM4E (0.41) KMT2APOLBKCNK3KCNK9MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0894084-B1 CINNAMIC ACID DERIVATIVES AND THEIR USE AS INTEGRIN ANTAGONISTS SEARLE & CO (US) 2002-06-26 EP claimed
EP-0894084-A1 CINNAMIC ACID DERIVATIVES AND THEIR USE AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1999-02-03 EP claimed
WO-1997036860-A1 CINNAMIC ACID DERIVATIVES AND THEIR USE AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1997-10-09 WO claimed
EP-0894084-B1 CINNAMIC ACID DERIVATIVES AND THEIR USE AS INTEGRIN ANTAGONISTS SEARLE & CO (US) 2002-06-26 EP disclosed
EP-0894084-A1 CINNAMIC ACID DERIVATIVES AND THEIR USE AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1999-02-03 EP disclosed
WO-1997036860-A1 CINNAMIC ACID DERIVATIVES AND THEIR USE AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1997-10-09 WO disclosed