SCHEMBL6870633

SCHEMBL6870633

Cc1c(C(O)c2ccccn2)oc2cccc(OCCCBr)c12

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NMT2 O60551 14/20 0.65
NMT1 P30419 14/20 0.65
EDNRA P25101 1/20 0.38
ADRB2 P07550 2/20 0.37
ADRB1 P08588 2/20 0.37
ADRB3 P13945 2/20 0.37
KAT7 O95251 1/20 0.35
KAT6A Q92794 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
SCHEMBL6874335 0.73 NMT2 (0.64) NMT2NMT1
SCHEMBL6863131 0.72 NMT2 (0.41) NMT2NMT1EDNRAADRB2ADRB1
SCHEMBL6872423 0.71 NMT2 (0.42) NMT2NMT1EDNRAADRB2ADRB1
SCHEMBL7700986 0.70 NMT2 (0.37) NMT2NMT1ADRB2ADRB1ADRB3
SCHEMBL6869191 0.69 EDNRA (0.67) NMT2NMT1EDNRAADRB2ADRB1
SCHEMBL6868030 0.69 EDNRA (0.52) NMT2NMT1EDNRAADRB2ADRB1
SCHEMBL6869571 0.68 NMT2 (0.41) NMT2NMT1EDNRAADRB2ADRB1
SCHEMBL6871391 0.67 NMT2 (0.71) NMT2NMT1EDNRAADRB2ADRB1
SCHEMBL9206123 0.66 KDM4E (0.40) NMT2NMT1EDNRAADRB2ADRB1
SCHEMBL6572936 0.66 ADRB2 (0.47) ADRB2

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
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