SCHEMBL6872147

SCHEMBL6872147

Cc1c(C(=O)N2CCOCC2)oc2cccc(OCCCBr)c12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NMT2 O60551 7/20 0.51
NMT1 P30419 7/20 0.51
ADRB2 P07550 2/20 0.45
ADRB1 P08588 2/20 0.45
ADRB3 P13945 2/20 0.45
EDNRA P25101 2/20 0.45
NPSR1 Q6W5P4 2/20 0.44
GLA P06280 2/20 0.42
ALDH1A1 P00352 3/20 0.42
TSHR P16473 2/20 0.42
HPGD P15428 2/20 0.42
HTT P42858 2/20 0.42
RECQL P46063 1/20 0.42
TP53 P04637 3/20 0.42
LMNA P02545 2/20 0.42
MAPT P10636 2/20 0.42
GAA P10253 1/20 0.42
KDM4E B2RXH2 1/20 0.42
KMT2A Q03164 1/20 0.41
RAB9A P51151 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
SCHEMBL6869191 0.81 EDNRA (0.67) NMT2NMT1ADRB2ADRB1ADRB3
SCHEMBL6868030 0.79 EDNRA (0.52) NMT2NMT1ADRB2ADRB1ADRB3
SCHEMBL6871523 0.78 NMT2 (0.71) NMT2NMT1
SCHEMBL6871391 0.78 NMT2 (0.71) NMT2NMT1ADRB2ADRB1ADRB3
SCHEMBL6863218 0.77 NMT2 (0.52) NMT2NMT1ADRB2ADRB1ADRB3
SCHEMBL6869508 0.75 NMT2 (0.47) NMT2NMT1ADRB2ADRB1ADRB3
SCHEMBL6869505 0.74 NMT2 (0.49) NMT2NMT1ADRB2ADRB1ADRB3
SCHEMBL6868497 0.74 NMT2 (0.46) NMT2NMT1ALDH1A1
SCHEMBL6863131 0.74 NMT2 (0.41) NMT2NMT1ADRB2ADRB1ADRB3
SCHEMBL6872423 0.70 NMT2 (0.42) 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