SCHEMBL6876523

SCHEMBL6876523

CCCNC(=O)c1c[c]ccc1N(N)c1cccc(C(=O)NC(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.40
BACE1 P56817 1/20 0.38
ALDH1A1 P00352 2/20 0.37
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
LMNA P02545 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TAS1R3 Q7RTX0 2/20 0.36
TAS1R1 Q7RTX1 2/20 0.36
ATM Q13315 1/20 0.35
ROCK2 O75116 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
MAOB P27338 1/20 0.34
HPGD P15428 1/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
ROCK1 Q13464 1/20 0.34
ACACB O00763 1/20 0.33

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
SCHEMBL6876519 0.80 L3MBTL1 (0.44) L3MBTL1BACE1ALDH1A1POLBSMN1; SMN2
SCHEMBL7471190 0.80 KMT2A (0.46) ALDH1A1POLBSMN1; SMN2LMNAATM
SCHEMBL6762666 0.78 ALDH1A1 (0.34) L3MBTL1ALDH1A1POLBSMN1; SMN2LMNA
SCHEMBL6760029 0.71 RAB9A (0.40) ALDH1A1POLBSMN1; SMN2LMNANPSR1
SCHEMBL10294887 0.67 NPSR1 (0.51) ALDH1A1SMN1; SMN2LMNANPSR1TAS1R3
SCHEMBL13753747 0.66 L3MBTL1 (0.65) L3MBTL1ALDH1A1POLBSMN1; SMN2LMNA
SCHEMBL13753398 0.66 KDM4E (0.58) L3MBTL1ALDH1A1POLBSMN1; SMN2LMNA
SCHEMBL7471186 0.65 KMT2A (0.47) ALDH1A1POLBLMNANPSR1ATM
SCHEMBL10294751 0.64 L3MBTL1 (0.61) L3MBTL1ALDH1A1POLBSMN1; SMN2LMNA
SCHEMBL13763531 0.64 L3MBTL1 (0.80) 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