SCHEMBL6870517

SCHEMBL6870517

O=[C]NNc1ccccc1F

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.47
RAB9A P51151 8/20 0.47
NPC1 O15118 7/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
POLB P06746 2/20 0.42
PSIP1 O75475 1/20 0.41
EGFR P00533 1/20 0.40
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
P2RX7 Q99572 1/20 0.39
HTT P42858 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 2/20 0.38
GFER P55789 1/20 0.37
CXCL8 P10145 1/20 0.37

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
SCHEMBL30912304 0.78 RAB9A (0.54) GAARAB9ANPC1SMN1; SMN2POLB
SCHEMBL514305 0.77 RAB9A (0.50) GAARAB9ANPC1SMN1; SMN2POLB
SCHEMBL15949879 0.71 KDM4E (0.48) GAARAB9ANPC1SMN1; SMN2POLB
SCHEMBL21876485 0.70 GAA (0.47) GAARAB9ANPC1SMN1; SMN2POLB
SCHEMBL25077910 0.70 GAA (0.47) GAARAB9ANPC1SMN1; SMN2POLB
SCHEMBL20984862 0.70 GAA (0.67) GAARAB9ANPC1SMN1; SMN2POLB
SCHEMBL5703062 0.69
SCHEMBL22169103 0.68 ALDH1A1 (0.57) GAARAB9ANPC1SMN1; SMN2POLB
Hydrochloric Acid SCHEMBL17023393 0.68 GAA (0.46) GAARAB9ANPC1SMN1; SMN2POLB
Hydrochloric Acid SCHEMBL18172055 0.68 GAA (0.46) GAARAB9ANPC1SMN1; SMN2POLB

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