SCHEMBL6869191

SCHEMBL6869191

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

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 2/20 0.67
NMT2 O60551 12/20 0.53
NMT1 P30419 12/20 0.53
ADRB2 P07550 2/20 0.53
ADRB1 P08588 2/20 0.53
ADRB3 P13945 2/20 0.53
BCL2 P10415 1/20 0.49
BCL2L1 Q07817 1/20 0.49
MCL1 Q07820 1/20 0.49
BAD Q92934 1/20 0.49
KDM4E B2RXH2 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL6868030 0.88 EDNRA (0.52) EDNRANMT2NMT1ADRB2ADRB1
SCHEMBL3603130 0.86 EDNRA (0.70) EDNRANMT2NMT1ADRB2ADRB1
SCHEMBL6871391 0.86 NMT2 (0.71) EDNRANMT2NMT1ADRB2ADRB1
SCHEMBL6863218 0.85 NMT2 (0.52) EDNRANMT2NMT1ADRB2ADRB1
SCHEMBL3612478 0.83 EDNRA (0.73) EDNRANMT2NMT1ADRB2ADRB1
SCHEMBL6869508 0.83 NMT2 (0.47) EDNRANMT2NMT1ADRB2ADRB1
SCHEMBL3618219 0.83 EDNRA (0.65) EDNRANMT2NMT1ADRB2ADRB1
SCHEMBL6869505 0.82 NMT2 (0.49) EDNRANMT2NMT1ADRB2ADRB1
SCHEMBL6863935 0.81 NMT2 (0.77) EDNRANMT2NMT1ADRB2ADRB1
Hydrochloric Acid SCHEMBL6872183 0.81 NMT2 (0.77) EDNRANMT2NMT1ADRB2ADRB1

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 5 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
CN-1333770-A Novel Bicyclic Compounds BASLIER PHARMACEUTICAL AG (CH) 2002-01-30 CN 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