SCHEMBL7317153

SCHEMBL7317153

C=CCOc1ccc(-c2ccc(C(=O)NNC(=O)c3ccc(C(=O)OC)cc3)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.55
NPC1 O15118 3/20 0.55
POLB P06746 3/20 0.55
RAB9A P51151 3/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
ALDH1A1 P00352 2/20 0.51
KMT2A Q03164 1/20 0.51
CTDSP1 Q9GZU7 1/20 0.51
CHRNB2 P17787 5/20 0.50
CHRNB4 P30926 5/20 0.50
CHRNA3 P32297 5/20 0.50
CHRNA4 P43681 5/20 0.50
ADRB2 P07550 1/20 0.49
ADRB1 P08588 1/20 0.49
ADRB3 P13945 1/20 0.49
BLM P54132 1/20 0.48
KDM4E B2RXH2 1/20 0.47
HPGD P15428 1/20 0.47
GAA P10253 2/20 0.47
HTT P42858 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
SCHEMBL7323803 0.93 MAPT (0.60) MAPTNPC1POLBRAB9ASMN1; SMN2
SCHEMBL542658 0.89 MAPT (0.66) MAPTNPC1POLBRAB9ASMN1; SMN2
SCHEMBL8949705 0.84 MAPT (0.60) MAPTNPC1POLBRAB9ASMN1; SMN2
SCHEMBL8092371 0.83 MAPT (0.49) MAPTNPC1POLBRAB9ASMN1; SMN2
SCHEMBL7323088 0.82 NR1H4 (0.50) MAPTNPC1POLBRAB9ASMN1; SMN2
SCHEMBL7321165 0.81 MAPT (0.58) MAPTNPC1POLBRAB9ASMN1; SMN2
SCHEMBL7322270 0.81 MAPT (0.64) MAPTNPC1POLBRAB9ASMN1; SMN2
SCHEMBL7338304 0.81 MAPT (0.64) MAPTNPC1POLBRAB9ASMN1; SMN2
SCHEMBL9288915 0.80 ADRB2 (0.55) MAPTNPC1POLBRAB9ASMN1; SMN2
SCHEMBL10580996 0.80 MAPT (0.51) MAPTNPC1POLBRAB9ASMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1240713-C New compound FUJISAWA PHARMACEUTICAL CO (JP) 2006-02-08 CN disclosed
CN-1296494-A New compound FUJISAWA PHARMACEUTICAL CO (JP) 2001-05-23 CN disclosed
US-6232290-B1 FUNGICIDES AGAINST PNEUMOCYSTIS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-05-15 US disclosed