SCHEMBL11679727

SCHEMBL11679727

NNc1ccc(I)cc1I

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 1/20 0.33
PTPN2 P17706 1/20 0.33
PTPN1 P18031 1/20 0.33
PTPRA P18433 1/20 0.33
PTPRB P23467 1/20 0.33
PTPRE P23469 1/20 0.33
PTPN6 P29350 1/20 0.33
CA2 P00918 5/20 0.32
CA1 P00915 4/20 0.32
CA9 Q16790 3/20 0.31
TTR P02766 1/20 0.31
IDO1 P14902 1/20 0.30
MAP2K2 P36507 1/20 0.30
MAP2K1 Q02750 1/20 0.30

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
SCHEMBL6561965 0.76 IDO1 (0.40) PTPRCPTPN2PTPN1PTPRAPTPRB
SCHEMBL31736937 0.76 CA1 (0.33) PTPRCPTPN2PTPN1PTPRAPTPRB
SCHEMBL4768717 0.76 CYP2A6 (0.36) CA2CA1IDO1
SCHEMBL25250579 0.76 RAPGEF4 (0.38) CA2CA1CA9
SCHEMBL14141135 0.76 CA1 (0.37) CA2CA1CA9IDO1
SCHEMBL24006853 0.76 HDAC1 (0.38) CA2CA1CA9
SCHEMBL2087064 0.76 CA1 (0.50) CA2CA1CA9IDO1MAP2K2
SCHEMBL24126412 0.76 CA1 (0.33) PTPRCPTPN2PTPN1PTPRAPTPRB
SCHEMBL31260970 0.76 HDAC1 (0.38) CA2CA1CA9
SCHEMBL21668012 0.75 APP (0.40) PTPRCPTPN2PTPN1PTPRAPTPRB

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
WO-2024095868-A1 RESIST COMPOSITION, METHOD FOR FORMING RESIST PATTERN, AND ACID DIFFUSION CONTROL AGENT 東京応化工業株式会社 2024-05-10 WO disclosed
US-4014932-A ANTHELMINTICS, PESTICIDES, MITICIDES, INSECTICIDES THE UPJOHN COMPANY (US) 1977-03-29 US disclosed
US-3931318-A ANTHELMINTICS, PESTICIDES THE UPJOHN COMPANY (US) 1976-01-06 US disclosed