SCHEMBL8937207

SCHEMBL8937207

C[Pd]C.O=[N+]([O-])c1cc2cccnc2c2ncccc12

nearest known ligand 0.88

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.88
ALDH1A1 P00352 9/20 0.88
L3MBTL1 Q9Y468 5/20 0.88
MEN1 O00255 11/20 0.60
KMT2A Q03164 11/20 0.60
KDM4E B2RXH2 5/20 0.60
CTSB P07858 3/20 0.60
IDO1 P14902 2/20 0.60
TDO2 P48775 2/20 0.60
GAA P10253 1/20 0.60
SMN1; SMN2 Q16637 4/20 0.56
HSP90AA1 P07900 3/20 0.55
HSP90AB1 P08238 1/20 0.55
TDP1 Q9NUW8 6/20 0.55
HTT P42858 3/20 0.55
PKM P14618 3/20 0.55
OPRK1 P41145 2/20 0.55
PDE10A Q9Y233 1/20 0.54
CYP2C19 P33261 5/20 0.53
CYP2D6 P10635 1/20 0.53

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
SCHEMBL670669 0.94 MAPT (1.00) MAPTALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL15667133 0.92 MAPT (0.97) MAPTALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL16584943 0.92 MAPT (0.97) MAPTALDH1A1L3MBTL1MEN1KMT2A
Water SCHEMBL7195661 0.92 MAPT (0.97) MAPTALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL15667134 0.92 MAPT (0.97) MAPTALDH1A1L3MBTL1MEN1KMT2A
Sulfuric Acid SCHEMBL3053330 0.87 MAPT (0.86) MAPTALDH1A1L3MBTL1MEN1KMT2A
Sulfuric Acid SCHEMBL8602226 0.87 MAPT (0.86) MAPTALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL9546064 0.84 MAPT (0.75) MAPTALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL27992774 0.83 MAPT (0.79) MAPTALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL27586960 0.83 MAPT (0.73) MAPTALDH1A1L3MBTL1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5561216-A PROVIDES CONTROLLED MOLECULAR WEIGHT AND NARROW MOLECULAR WEIGHT DISTRIBUTION UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1996-10-01 US disclosed
US-5516739-A NICKEL OR PALLADIUM COMPLEXES; ETHYLENE-CARBON MONOXIDE COPOLYMERS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1996-05-14 US disclosed