SCHEMBL6863218

SCHEMBL6863218

CCCC(=O)c1oc2cccc(OCCCBr)c2c1C

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NMT2 O60551 11/20 0.52
NMT1 P30419 11/20 0.52
ADRB2 P07550 5/20 0.52
ADRB1 P08588 4/20 0.52
ADRB3 P13945 4/20 0.52
EDNRA P25101 2/20 0.49
KDM4E B2RXH2 2/20 0.46
HSD17B10 Q99714 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
KMT2A Q03164 1/20 0.42
ATM Q13315 1/20 0.42

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
SCHEMBL6869191 0.85 EDNRA (0.67) NMT2NMT1ADRB2ADRB1ADRB3
SCHEMBL6871391 0.84 NMT2 (0.71) NMT2NMT1ADRB2ADRB1ADRB3
SCHEMBL6868030 0.84 EDNRA (0.52) NMT2NMT1ADRB2ADRB1ADRB3
SCHEMBL6869508 0.79 NMT2 (0.47) NMT2NMT1ADRB2ADRB1ADRB3
SCHEMBL6869505 0.78 NMT2 (0.49) NMT2NMT1ADRB2ADRB1ADRB3
SCHEMBL3603130 0.77 EDNRA (0.70) NMT2NMT1ADRB2ADRB1ADRB3
SCHEMBL6872147 0.77 NMT2 (0.51) NMT2NMT1ADRB2ADRB1ADRB3
SCHEMBL3475905 0.76 NMT2 (0.79) NMT2NMT1
SCHEMBL7890729 0.76 NMT2 (0.42) NMT2NMT1ADRB2ADRB1ADRB3
SCHEMBL6863131 0.75 NMT2 (0.41) 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 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