SCHEMBL4881276

SCHEMBL4881276

Oc1ccccc1C=CC(CI)[n+]1cccc2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.37
PKM P14618 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
RAD52 P43351 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TRPA1 O75762 1/20 0.34
ECE2 P0DPD6 2/20 0.34
NFKB1 P19838 2/20 0.33
CDK4 P11802 1/20 0.33
CCND1 P24385 1/20 0.33
JUN P05412 1/20 0.33
NFE2L2 Q16236 1/20 0.33
CA2 P00918 2/20 0.33
CA1 P00915 1/20 0.33
CA4 P22748 1/20 0.33
MEN1 O00255 1/20 0.32
TNNI3 P19429 1/20 0.32
TNNT2 P45379 1/20 0.32

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
SCHEMBL4907339 0.73 TRPA1 (0.39) MAPTPKMMAPK1HTTRAD52
SCHEMBL4881268 0.67 ACHE (0.42) MAPTPKMMAPK1HTTRAD52
SCHEMBL21166609 0.61 TRPA1 (0.52) MAPTPKMMAPK1HTTRAD52
SCHEMBL717976 0.61 TRPA1 (0.76) MAPTPKMMAPK1HTTRAD52
SCHEMBL108389 0.61 TRPA1 (0.76) MAPTPKMMAPK1HTTRAD52
SCHEMBL9715701 0.60 TRPA1 (0.47) MAPTMAPK1TRPA1ECE2NFKB1
SCHEMBL28398848 0.59 TRPA1 (0.60) MAPTMAPK1SMN1; SMN2TRPA1ECE2
SCHEMBL501628 0.59 TRPA1 (0.46) MAPTSMN1; SMN2TRPA1ECE2NFKB1
SCHEMBL1127643 0.59 MEN1 (0.49) NFE2L2MEN1TNNI3TNNT2TNNC1
Hydrochloric Acid SCHEMBL30920083 0.58 MEN1 (0.49) NFE2L2MEN1TNNI3TNNT2TNNC1

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-20080171440-A1 Pre-polishing treatment solution for interconnect substrate, polishing method, and method and apparatus for manufacturing interconnect substrate EBARA CORPORATION (JP) 2008-07-17 US disclosed