SCHEMBL23401645

SCHEMBL23401645

CCn1nc(C)c(-c2ccccc2)c1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.50
POLB P06746 2/20 0.50
MAPT P10636 4/20 0.45
RAB9A P51151 4/20 0.43
NPSR1 Q6W5P4 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
LMNA P02545 2/20 0.43
ALOX15 P16050 1/20 0.43
SMN1; SMN2 Q16637 6/20 0.42
NPC1 O15118 3/20 0.42
HPGD P15428 3/20 0.41
NR1H3 Q13133 2/20 0.41
NR1H2 P55055 1/20 0.41
CDK8 P49336 1/20 0.41
ACVR1 Q04771 1/20 0.41
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40

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
SCHEMBL23398491 0.87 GAA (0.48) GAAPOLBMAPTRAB9ANPSR1
SCHEMBL23401549 0.86 MAPT (0.42) GAAPOLBMAPTRAB9AMEN1
SCHEMBL23399319 0.85 DHFR (0.45) GAAMAPTMEN1KMT2AALOX15
SCHEMBL23400686 0.84 NR1H3 (0.52) GAAPOLBMAPTRAB9ANPSR1
SCHEMBL23399004 0.83 SMN1; SMN2 (0.53) MAPTMEN1KMT2ASMN1; SMN2PDE4A
SCHEMBL23400655 0.82 GAA (0.47) GAAPOLBMAPTRAB9ANPSR1
SCHEMBL23398659 0.80 SMN1; SMN2 (0.48) POLBMAPTRAB9AMEN1KMT2A
SCHEMBL23399451 0.79 KDM4E (0.40) GAAPOLBMAPTNPSR1MEN1
SCHEMBL23403484 0.79 KDM5B (0.39) GAAMAPTNPSR1MEN1KMT2A
SCHEMBL3683036 0.77 POLB (0.46) GAAPOLBMAPTRAB9ANPSR1

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