SCHEMBL8897700

SCHEMBL8897700

N#Cc1ccc(C(=N)OCc2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.56
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
MAOA P21397 2/20 0.46
KMT2A Q03164 3/20 0.44
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.43
LMNA P02545 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A3 Q01959 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
TSHR P16473 2/20 0.42
HTT P42858 1/20 0.41
AR P10275 1/20 0.40

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
SCHEMBL4196344 0.82 TDP1 (0.59) NPC1RAB9AL3MBTL1KMT2ALMNA
SCHEMBL17769820 0.81 KMT2A (0.69) MAOBNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL7625097 0.78 TDP1 (0.46) L3MBTL1KMT2AMEN1LMNACA12
SCHEMBL6646091 0.77 MAOB (0.59) MAOBNPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL20597872 0.76 MAOB (0.50) MAOBNPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL7901756 0.74 RAB9A (0.55) MAOBNPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL7062567 0.73 MAOB (0.69) MAOBNPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL18248023 0.73 MAOB (0.50) MAOBNPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL28481255 0.72 RAB9A (0.52) MAOBNPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL17257319 0.72 NPC1 (0.68) MAOBNPC1RAB9ASMN1; SMN2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5703050-A INHIBIT PLATELET AGGREGATION, METASTASIS OF CARCINOMA CELLS, OSTEOCLAST BINDING TO BONE SURFACE HOECHST AKTIENGESELLSCHAFT (DE) 1997-12-30 US disclosed