SCHEMBL8352623

SCHEMBL8352623

COc1cccc(C=NCCNCc2ccccc2O)c1O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 6/20 0.65
▸ MPO P05164 2/20 0.57
▸ MAPT P10636 4/20 0.50
▸ KDM4E B2RXH2 4/20 0.50
▸ HTR2A P28223 2/20 0.47
▸ HTR2C P28335 2/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ LMNA P02545 2/20 0.47
▸ POLB P06746 1/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ RECQL P46063 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ CA2 P00918 5/20 0.47
▸ TLR2 O60603 1/20 0.46
▸ ERN1 O75460 1/20 0.46
▸ TLR1 Q15399 1/20 0.46
▸ TLR6 Q9Y2C9 1/20 0.46
▸ ADORA2A P29274 1/20 0.46
▸ CA9 Q16790 4/20 0.44

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
SCHEMBL7106742 0.82 CA12 (0.64) CA12MPOKDM4ECA2CA9
SCHEMBL18435400 0.82 CA12 (0.64) CA12MPOKDM4ECA2CA9
SCHEMBL28567656 0.81 MAPT (0.55) CA12MPOMAPTKDM4ESMN1; SMN2
SCHEMBL3888008 0.80 CA12 (1.00) CA12MAPTKDM4ESMN1; SMN2LMNA
SCHEMBL3888004 0.80 CA12 (1.00) CA12MAPTKDM4ESMN1; SMN2LMNA
SCHEMBL9437419 0.80 CA12 (1.00) CA12MAPTKDM4ESMN1; SMN2LMNA
SCHEMBL28008110 0.80 CA12 (0.72) CA12MAPTKDM4ESMN1; SMN2LMNA
SCHEMBL30507710 0.79 CA12 (0.97) CA12MAPTKDM4ESMN1; SMN2LMNA
SCHEMBL8357883 0.79 CA2 (0.49) CA12MPOMAPTKDM4EHTR2A
Hydrochloric Acid SCHEMBL2243715 0.78 CA12 (0.94) CA12MAPTKDM4ESMN1; SMN2LMNA

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-5998645-A LAUNDERING DETERGENTS; CLEANING COMPOUNDS CLARIANT GMBH (DE) 1999-12-07 — — US disclosed
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