SCHEMBL23401679

SCHEMBL23401679

Cn1nc(O)c(-c2ccccc2)c1C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.41
HKDC1 Q2TB90 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPT P10636 2/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 3/20 0.37
LMNA P02545 2/20 0.37
CDK8 P49336 1/20 0.37
ACVR1 Q04771 1/20 0.37
IGF1R P08069 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
TP53 P04637 2/20 0.35
DHFR P00374 1/20 0.35
XBP1 P17861 1/20 0.35

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
SCHEMBL23402939 0.85 ALDH1A1 (0.33) MAPTSMN1; SMN2HPGDKMT2ALMNA
SCHEMBL23401752 0.81 SMN1; SMN2 (0.47) PKMHKDC1L3MBTL1MAPTPOLB
SCHEMBL23403039 0.80 PKM (0.46) PKMHKDC1L3MBTL1MAPTSMN1; SMN2
SCHEMBL23402200 0.80 KDM4E (0.42) PKMHKDC1L3MBTL1MAPTPOLB
SCHEMBL23401603 0.79 KDM4E (0.40) PKMHKDC1L3MBTL1MAPTPOLB
SCHEMBL23398741 0.77 NR1H3 (0.46) MAPTKMT2AMEN1NR1H3KDM4E
SCHEMBL23398449 0.77 MAPT (0.49) MAPTPOLBSMN1; SMN2HPGDKMT2A
SCHEMBL23402711 0.77 MAPT (0.44) MAPTPOLBSMN1; SMN2KMT2ALMNA
SCHEMBL23398793 0.76 RECQL (0.43) PKMHKDC1L3MBTL1MAPTPOLB
SCHEMBL23402819 0.75 SMN1; SMN2 (0.42) PKMHKDC1L3MBTL1MAPTSMN1; SMN2

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