SCHEMBL11043751

SCHEMBL11043751

Nc1cc(OP(=O)(O)O)ccc1Cl

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
INPPL1 O15357 6/20 0.52
INPP5A Q14642 4/20 0.52
SRC P12931 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA12 O43570 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.42
BLM P54132 1/20 0.40
FBP1 P09467 2/20 0.39
INPP5B P32019 1/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
DRD4 P21917 1/20 0.37
KDM4E B2RXH2 1/20 0.36
STS P08842 1/20 0.36

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
SCHEMBL29188145 0.82 INPPL1 (0.57) INPPL1INPP5ASRCCA1CA2
SCHEMBL30433804 0.82 INPPL1 (0.57) INPPL1INPP5ASRCCA1CA2
SCHEMBL11039261 0.79 INPPL1 (0.53) INPPL1INPP5ASRCCA1CA2
SCHEMBL11037254 0.78 INPPL1 (0.52) INPPL1INPP5ASRCCA1CA2
SCHEMBL11037860 0.78 INPPL1 (0.52) INPPL1INPP5ASRCCA1CA2
SCHEMBL11042190 0.77 INPPL1 (0.47) INPPL1INPP5ASRCMEN1KMT2A
SCHEMBL5705521 0.76 INPPL1 (0.53) INPPL1INPP5ASRCCA1CA2
SCHEMBL11038048 0.75 ALDH1A1 (0.59) INPPL1INPP5ASRCCA1CA2
SCHEMBL8386637 0.73 INPPL1 (0.65) INPPL1INPP5ASRCCA1CA2
SCHEMBL10892274 0.73 CA12 (0.47) CA1CA2CA12CA7CA9

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
US-4230618-A CELLULOSE ICI UNITED STATES, INC. (US) 1980-10-28 US claimed
US-4472308-A Azo dyestuffs containing an amino or acylated amino naphthol monosulfonic acid radical and at least one reactive phosphoric or phosphonic acid group ICI UNITED STATES, INC. (US) 1984-09-18 US disclosed
US-4230618-A CELLULOSE ICI UNITED STATES, INC. (US) 1980-10-28 US disclosed