SCHEMBL6870748

SCHEMBL6870748

O=[C]c1nc2ccccc2n1CCc1ccccn1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 4/20 0.47
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
HTT P42858 1/20 0.45
HSD17B10 Q99714 1/20 0.44
HRH1 P35367 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
KCNH2 Q12809 1/20 0.42
MKNK1 Q9BUB5 1/20 0.42
MKNK2 Q9HBH9 1/20 0.42
PYGM P11217 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
SCHEMBL12598788 0.78 CXCR4 (0.64) KDM4EALDH1A1ALOX15TSHRHTT
SCHEMBL2084334 0.78 VDR (0.50) KDM4EALDH1A1ALOX15TSHRHTT
SCHEMBL5550219 0.77 HSD17B10 (0.47) KDM4EALDH1A1ALOX15TSHRHTT
SCHEMBL29205391 0.75 HRH1 (0.54) KDM4EALDH1A1ALOX15TSHRHTT
SCHEMBL30281772 0.75 HRH1 (0.54) KDM4EALDH1A1ALOX15TSHRHTT
SCHEMBL20448743 0.72 SMN1; SMN2 (0.55) KDM4EALDH1A1ALOX15TSHRHTT
SCHEMBL6873837 0.71 LMNA (0.64) KDM4EALDH1A1TSHRHSD17B10L3MBTL1
SCHEMBL19888989 0.70 RPS6KA2 (0.52) KDM4EALDH1A1ALOX15TSHRHTT
SCHEMBL2082545 0.69 TDP1 (0.66) KDM4EALDH1A1ALOX15TSHRHTT
SCHEMBL9671309 0.69 BRD4 (0.55) KDM4EALDH1A1HTTHSD17B10HRH1

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