SCHEMBL21653151

SCHEMBL21653151

CCn1cc(NC(=O)c2cc(Cl)c(C#N)s2)cc(F)c1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 3/20 0.35
▸ MAPT P10636 6/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ TP53 P04637 2/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ HTT P42858 2/20 0.33
▸ AR P10275 1/20 0.33
▸ ENPP2 Q13822 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ PPARG P37231 1/20 0.32
▸ NCOA2 Q15596 1/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.32
▸ TAS1R3 Q7RTX0 1/20 0.32
▸ TAS1R1 Q7RTX1 1/20 0.32
▸ TAS1R2 Q8TE23 1/20 0.32

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
SCHEMBL21653232 0.90 MAPT (0.34) MAPTMAPK1KMT2AARENPP2
SCHEMBL21653146 0.89 MET (0.33) MAPTMAPK1TP53SMN1; SMN2KMT2A
SCHEMBL21653256 0.89 MAPT (0.34) MAPTMAPK1TP53NPC1RAB9A
SCHEMBL21653156 0.86 PDE10A (0.38) PDE10AMAPTMAPK1TP53NPC1
SCHEMBL21653089 0.85 PDE10A (0.35) PDE10AMAPTMAPK1TP53AR
SCHEMBL21653122 0.83 ALDH1A1 (0.40) MAPTTP53NPC1RAB9ALMNA
SCHEMBL21653160 0.81 MEN1 (0.35) MAPTMAPK1TP53NPC1RAB9A
SCHEMBL21653276 0.81 L3MBTL1 (0.36) PDE10AMAPTTP53SMN1; SMN2TAS1R3
SCHEMBL21633869 0.80 TP53 (0.35) MAPTMAPK1TP53NPC1RAB9A
SCHEMBL21652875 0.80 LRRK2 (0.39) PDE10ANPC1RAB9ASMN1; SMN2AR

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
WO-2020023657-A1 PYRIDIN-2-ONE COMPOUNDS USEFUL AS SMARCA2 ANTAGONISTS Epizyme, Inc. (US) 2020-01-30 — — WO disclosed
Send feedback