SCHEMBL8040829

SCHEMBL8040829

Cc1ccc(-c2ccccc2OP([O-])[O-])cc1.[Ni+2]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.45
LMNA P02545 4/20 0.41
MAPK1 P28482 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
ADRA2A P08913 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
PTGS2 P35354 1/20 0.37
ALDH1A1 P00352 2/20 0.37
HTT P42858 1/20 0.37
DRD1 P21728 5/20 0.36
XDH P47989 1/20 0.36
VDR P11473 1/20 0.36
HPRT1 P00492 1/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL8040741 0.85 SYK (0.50) SYKLMNAMAPK1L3MBTL1TDP1
SCHEMBL8040823 0.83 SYK (0.49) SYKLMNAMAPK1L3MBTL1TDP1
SCHEMBL3874497 0.80 SYK (0.46) SYKLMNAMAPK1L3MBTL1TDP1
SCHEMBL8040839 0.79 SYK (0.45) SYKLMNAMAPK1L3MBTL1TDP1
SCHEMBL11499533 0.77 SYK (0.53) SYKLMNAMAPK1L3MBTL1TDP1
SCHEMBL4425113 0.75 SYK (0.56) SYKLMNAMAPK1L3MBTL1TDP1
SCHEMBL9418893 0.74 LMNA (0.47) SYKLMNAMAPK1L3MBTL1TDP1
SCHEMBL26509862 0.73 SYK (0.50) SYKLMNAMAPK1L3MBTL1TDP1
SCHEMBL27435568 0.72 SYK (0.49) SYKLMNAMAPK1L3MBTL1TDP1
SCHEMBL8040845 0.71 CA12 (0.46) MAPK1RAB9ASMN1; SMN2NPC1GAA

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
EP-0438638-B1 Process for producing norcamphane dicarbonitriles MITSUI CHEMICALS INC (JP) 2000-07-05 EP disclosed
US-5087722-A Catalytic hydrocyanation of bicyclo(2.2.1)-5-heptene-2-carbonitrile MITSUI TOATSU CHEMICALS, INC. (JP) 1992-02-11 US disclosed
EP-0438638-A1 Process for producing norcamphane dicarbonitriles MITSUI TOATSU CHEMICALS, Inc. (JP) 1991-07-31 EP disclosed