SCHEMBL27409557

SCHEMBL27409557

O=C(O)c1ccc2cc(O)ccc2c1.[NaH]

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.63
KMT2A Q03164 2/20 0.63
NPC1 O15118 1/20 0.63
RAB9A P51151 1/20 0.63
CLK1 P49759 1/20 0.58
DYRK1A Q13627 1/20 0.58
DYRK1B Q9Y463 1/20 0.58
CA12 O43570 3/20 0.56
CA1 P00915 3/20 0.56
CA2 P00918 3/20 0.56
CA6 P23280 3/20 0.56
CA9 Q16790 3/20 0.56
CA4 P22748 2/20 0.56
CA7 P43166 2/20 0.56
CA14 Q9ULX7 2/20 0.56
CA3 P07451 1/20 0.56
TYR P14679 1/20 0.56
DRD1 P21728 1/20 0.56
CA5A P35218 1/20 0.56
CA5B Q9Y2D0 1/20 0.56

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
SCHEMBL44327 0.98 MEN1 (0.66) MEN1KMT2ANPC1RAB9ACLK1
SCHEMBL29357264 0.98 MEN1 (0.66) MEN1KMT2ANPC1RAB9ACLK1
SCHEMBL9944055 0.98 MEN1 (0.66) MEN1KMT2ANPC1RAB9ACLK1
SCHEMBL7180331 0.96 MEN1 (0.63) MEN1KMT2ANPC1RAB9ACLK1
Bicarbonate SCHEMBL9330925 0.96 MEN1 (0.63) MEN1KMT2ANPC1RAB9ACLK1
Potassium SCHEMBL7180341 0.96 MEN1 (0.63) MEN1KMT2ANPC1RAB9ACLK1
Hydrochloric Acid SCHEMBL3923537 0.96 MEN1 (0.63) MEN1KMT2ANPC1RAB9ACLK1
Terephthalic Acid SCHEMBL6052891 0.96 MEN1 (0.63) MEN1KMT2ANPC1RAB9ACLK1
SCHEMBL5875106 0.96 MEN1 (0.63) MEN1KMT2ANPC1RAB9ACLK1
SCHEMBL830494 0.96 MEN1 (0.63) MEN1KMT2ANPC1RAB9ACLK1

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
CN-1093095-A Water soluble coppercomplexmonoazocompoundcarbonacid compoundcarbonacid, its method for making and application HOECHST AG (DE) 1994-10-05 CN disclosed