SCHEMBL6876519

SCHEMBL6876519

CCCNC(=O)c1c[c]c(N(N)c2cccc(C(=O)NC(C)C)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 3/20 0.43
POLB P06746 2/20 0.43
BACE1 P56817 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
ROCK2 O75116 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ROCK1 Q13464 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KDM4E B2RXH2 3/20 0.37
ERN1 O75460 1/20 0.36
ATM Q13315 1/20 0.36
KMT2A Q03164 3/20 0.36
PAX8 Q06710 1/20 0.36
GAA P10253 2/20 0.36
HSD17B10 Q99714 1/20 0.36
HPGD P15428 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL7471186 0.82 KMT2A (0.47) ALDH1A1POLBNPSR1NPC1RAB9A
SCHEMBL6876523 0.80 L3MBTL1 (0.40) L3MBTL1ALDH1A1POLBBACE1SMN1; SMN2
SCHEMBL13753747 0.70 L3MBTL1 (0.65) L3MBTL1ALDH1A1POLBSMN1; SMN2NPC1
SCHEMBL10294751 0.68 L3MBTL1 (0.61) L3MBTL1ALDH1A1POLBSMN1; SMN2ROCK2
SCHEMBL10294887 0.68 NPSR1 (0.51) ALDH1A1SMN1; SMN2ROCK2NPSR1ROCK1
SCHEMBL13763531 0.68 L3MBTL1 (0.80) L3MBTL1ALDH1A1POLBSMN1; SMN2ROCK2
SCHEMBL13702338 0.67 GAA (0.60) L3MBTL1ALDH1A1SMN1; SMN2ROCK2NPSR1
SCHEMBL13753398 0.67 KDM4E (0.58) L3MBTL1ALDH1A1POLBSMN1; SMN2NPSR1
SCHEMBL8386465 0.66 L3MBTL1 (0.61) L3MBTL1ALDH1A1POLBSMN1; SMN2ROCK2
SCHEMBL104557 0.65 TP53BP1 (0.67) L3MBTL1ALDH1A1POLBSMN1; SMN2ROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2004505014-A 2004-02-19 JP claimed
EP-1268463-A2 POLYCYCLIC ARYL AND HETEROARYL SUBSTITUTED 4-PYRONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE Pharmacia Corporation (US) 2003-01-02 EP claimed
WO-2001077097-A2 POLYCYCLIC ARYL AND HETEROARYL SUBSTITUTED 4-PYRONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2001-10-18 WO claimed
WO-2001068605-A1 POLYCYCLIC ARYL AND HETEROARYL SUBSTITUTED BENZENES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2001-09-20 WO claimed