SCHEMBL6867993

SCHEMBL6867993

CCOC(=O)c1oc2cccc(OCCCNC(C)c3cccnc3)c2c1C

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NMT2 O60551 13/20 0.72
NMT1 P30419 13/20 0.72
ADRB2 P07550 4/20 0.72
ADRB1 P08588 3/20 0.72
ADRB3 P13945 3/20 0.72
KDM4E B2RXH2 1/20 0.54
MEN1 O00255 1/20 0.54
USP2 O75604 1/20 0.54
ALDH1A1 P00352 1/20 0.54
HPGD P15428 1/20 0.54
KMT2A Q03164 1/20 0.54
ATM Q13315 1/20 0.54
HSD17B10 Q99714 1/20 0.54

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
SCHEMBL6871579 0.88 NMT2 (0.65) NMT2NMT1ADRB2ADRB1ADRB3
SCHEMBL6871586 0.86 NMT2 (0.52) NMT2NMT1ADRB2ADRB1ADRB3
SCHEMBL6869552 0.84 NMT2 (1.00) NMT2NMT1ADRB2ADRB1ADRB3
SCHEMBL3472871 0.82 NMT2 (1.00) NMT2NMT1
SCHEMBL6871531 0.82 NMT2 (0.48) NMT2NMT1ADRB2ADRB1ADRB3
SCHEMBL3470645 0.81 NMT2 (0.85) NMT2NMT1ADRB2ADRB1ADRB3
SCHEMBL3470199 0.80 NMT2 (0.74) NMT2NMT1ADRB2ADRB1ADRB3
SCHEMBL6868010 0.80 NMT2 (0.55) NMT2NMT1ADRB2ADRB1ADRB3
SCHEMBL3470703 0.77 NMT2 (0.64) NMT2NMT1ADRB2ADRB1ADRB3
SCHEMBL6871813 0.76 NMT2 (1.00) NMT2NMT1ADRB2ADRB1ADRB3

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-1149094-B1 4-(AMINOALKOXY)BENZOFURANS AS N-MYRISTOYLTRANSFERASE INHIBITORS BASILEA PHARMACEUTICA AG (CH) 2004-04-21 EP claimed
US-6376491-B1 BENZOFURAN DERIVATIVES FOR TREATMENT OR PREVENTION OF MYCOSIS IN MAMMALS BASILEA PHARMACEUTICA AG (CH) 2002-04-23 US claimed
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
EP-1149094-A2 4-(AMINOALKOXY)BENZOFURANS AS N-MYRISTOYLTRANSFERASE INHIBITORS Basilea Pharmaceutica AG (CH) 2001-10-31 EP disclosed
WO-2000037464-A2 4-(AMINOALKOXY)BENZOFURANS AS N-MYRISTOYLTRANSFERASE INHIBITORS BASILEA PHARMACEUTICA AG (CH) 2000-06-29 WO disclosed