SCHEMBL6760029

SCHEMBL6760029

NN(c1cccc(C(=O)NC(=O)C2CCCC2)c1)c1cc[c]cc1C(=O)NC(=O)C1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.40
NPC1 O15118 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 2/20 0.40
GFER P55789 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KCNK3 O14649 1/20 0.38
KCNK9 Q9NPC2 1/20 0.38
HTT P42858 3/20 0.37
ALDH1A1 P00352 3/20 0.37
GRM5 P41594 1/20 0.36
KMT2A Q03164 3/20 0.35
POLB P06746 1/20 0.35
MEN1 O00255 2/20 0.35
GAA P10253 2/20 0.34
RXFP1 Q9HBX9 1/20 0.34
LMNA P02545 1/20 0.34
ACKR3 P25106 1/20 0.34
BCHE P06276 1/20 0.33
ALOX12 P18054 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
SCHEMBL6757871 0.98 SMN1; SMN2 (0.38) RAB9ANPC1SMN1; SMN2KDM4EGFER
SCHEMBL6762666 0.80 ALDH1A1 (0.34) RAB9ANPC1SMN1; SMN2KDM4EGFER
SCHEMBL6737820 0.73 RAB9A (0.45) RAB9ANPC1SMN1; SMN2KDM4EKCNK3
SCHEMBL7990575 0.72 HDAC3 (0.41) RAB9ANPC1HTTALDH1A1LMNA
SCHEMBL6876523 0.71 L3MBTL1 (0.40) RAB9ANPC1SMN1; SMN2KDM4EALDH1A1
SCHEMBL4266412 0.68 KCNK3 (0.61) RAB9ANPC1SMN1; SMN2KDM4EKCNK3
SCHEMBL6179784 0.65 HDAC1 (0.36) RAB9ANPC1SMN1; SMN2KDM4EGFER
SCHEMBL5847219 0.65 HDAC3 (0.38) RAB9ANPC1SMN1; SMN2GFERKCNK3
SCHEMBL5847210 0.65 HDAC3 (0.38) RAB9ANPC1SMN1; SMN2GFERKCNK3
SCHEMBL5847923 0.64 LMNA (0.39) RAB9ANPC1SMN1; SMN2GFERKCNK3

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
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