SCHEMBL23403189

SCHEMBL23403189

CC(C)Cn1nc(C(C)C)cc1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.38
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 2/20 0.33
POLB P06746 2/20 0.33
APAF1 O14727 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 2/20 0.32
GAA P10253 1/20 0.32
GRM2 Q14416 1/20 0.31
GABRA1 P14867 1/20 0.30
GABRB1 P18505 1/20 0.30
KCNJ6 P48051 1/20 0.30
KCNJ5 P48544 1/20 0.30
KCNJ3 P48549 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 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
SCHEMBL23398583 0.82 LMNA (0.46) KDM4EMEN1MAPTTHRBKMT2A
SCHEMBL23401945 0.81 ADORA2A (0.35) LMNAPOLBAPAF1ALDH1A1GAA
SCHEMBL23400860 0.80 HTR2A (0.32) KDM4EMEN1MAPTTHRBKMT2A
SCHEMBL23399998 0.80 GABRA1 (0.35) KDM4EMEN1MAPTTHRBKMT2A
SCHEMBL23403172 0.78 ADORA2A (0.39) KDM4ELMNAPOLBALDH1A1GAA
SCHEMBL23399571 0.77 HDAC3 (0.33) KDM4ELMNASMN1; SMN2ALDH1A1GAA
SCHEMBL23398956 0.77 GRN (0.39) KDM4EMEN1MAPTKMT2AALDH1A1
SCHEMBL23403078 0.75 ESR1 (0.39) KMT2APOLBSMN1; SMN2ALDH1A1GRM2
SCHEMBL23403051 0.74 TLR7 (0.35) KDM4ELMNAPOLBSMN1; SMN2ALDH1A1
SCHEMBL8763937 0.71 ALDH1A1 (0.34) LMNAALDH1A1GAA

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
EP-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 EP disclosed