SCHEMBL6869562

SCHEMBL6869562

Cc1c(CO)oc2cccc(OCC3CCCN(Cc4cccnc4)C3)c12

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOA P21397 10/20 0.50
MAOB P27338 10/20 0.50
ACHE P22303 3/20 0.46
NMT2 O60551 2/20 0.42
NMT1 P30419 2/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ADORA2A P29274 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL3478595 0.86 MAOA (0.48) MAOAMAOBACHENMT2NMT1
SCHEMBL6871614 0.85 NMT2 (0.57) MAOAMAOBACHENMT2NMT1
SCHEMBL6863650 0.83 MAOA (0.44) MAOAMAOBACHENMT2NMT1
SCHEMBL6870889 0.81 MAOA (0.44) MAOAMAOBACHENMT2NMT1
SCHEMBL6863212 0.81 NMT2 (0.42) MAOAMAOBNMT2NMT1KDM4E
SCHEMBL6871393 0.80 MAOA (0.44) MAOAMAOBACHENMT2NMT1
SCHEMBL7889754 0.71 NMT2 (0.52) NMT2NMT1
SCHEMBL12424313 0.71 CHRNB2 (0.61) ALDH1A1KDM4EMEN1KMT2ATDP1
SCHEMBL6871652 0.70 NMT2 (0.79) NMT2NMT1
SCHEMBL6863352 0.69 NMT2 (0.54) NMT2NMT1

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-1149094-B1 4-(AMINOALKOXY)BENZOFURANS AS N-MYRISTOYLTRANSFERASE INHIBITORS BASILEA PHARMACEUTICA AG (CH) 2004-04-21 EP disclosed
US-6376491-B1 BENZOFURAN DERIVATIVES FOR TREATMENT OR PREVENTION OF MYCOSIS IN MAMMALS BASILEA PHARMACEUTICA AG (CH) 2002-04-23 US disclosed