SCHEMBL6863935

SCHEMBL6863935

Cc1c(C(=O)O)oc2cccc(OCCCN3CCCC3)c12

nearest known ligand 0.77

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NMT2 O60551 4/20 0.77
NMT1 P30419 4/20 0.77
EDNRA P25101 2/20 0.59
L3MBTL1 Q9Y468 5/20 0.53
CYP2D6 P10635 1/20 0.51
CYP2C19 P33261 1/20 0.51
MAPT P10636 1/20 0.51
ALDH1A1 P00352 6/20 0.50
KDM4E B2RXH2 6/20 0.50
HTT P42858 2/20 0.50
ADRB2 P07550 2/20 0.50
ADRB1 P08588 2/20 0.50
ADRB3 P13945 2/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
TSHR P16473 1/20 0.49
PKM P14618 1/20 0.49

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) NMT2NMT1EDNRAKDM4EADRB2
SCHEMBL3603130 0.80 EDNRA (0.70) NMT2NMT1EDNRAMAPTKDM4E
SCHEMBL3612478 0.78 EDNRA (0.73) NMT2NMT1EDNRAL3MBTL1MAPT
SCHEMBL3618219 0.77 EDNRA (0.65) NMT2NMT1EDNRAALDH1A1KDM4E
Hydrochloric Acid SCHEMBL6872183 0.75 NMT2 (0.77) NMT2NMT1EDNRAADRB2ADRB1
SCHEMBL3617915 0.75 EDNRA (0.65) NMT2NMT1EDNRAKDM4EADRB2
SCHEMBL5749264 0.74 TDP1 (0.59) NMT2NMT1L3MBTL1CYP2D6CYP2C19
SCHEMBL3617976 0.73 EDNRA (0.68) NMT2NMT1EDNRAALDH1A1KDM4E
SCHEMBL5749883 0.73 XDH (0.59) NMT2NMT1CYP2D6CYP2C19ALDH1A1
SCHEMBL7894363 0.73 EDNRA (0.54) NMT2NMT1EDNRAADRB2ADRB1

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 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