SCHEMBL25526799

SCHEMBL25526799

Cc1cc(Cl)c2ncc(C)n2c1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.34
NPC1 O15118 2/20 0.32
MAPT P10636 2/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
AHR P35869 1/20 0.30
HPGD P15428 1/20 0.30
HTT P42858 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL22125651 0.85 L3MBTL1 (0.35) NPC1MAPTRAB9ASMN1; SMN2L3MBTL1
SCHEMBL24068085 0.85 KDM4E (0.35) PDE10ANPC1MAPTRAB9ASMN1; SMN2
SCHEMBL25948856 0.80 NOS3 (0.34) L3MBTL1
SCHEMBL24068092 0.78 SMN1; SMN2 (0.46) NPC1MAPTRAB9ASMN1; SMN2NFKB1
SCHEMBL22125652 0.78 TTR (0.32)
SCHEMBL24068039 0.76 SMN1; SMN2 (0.39) NPC1MAPTRAB9ASMN1; SMN2NFKB1
SCHEMBL23114459 0.69 HDAC8 (0.42) PDE10ANPC1MAPTRAB9ASMN1; SMN2
SCHEMBL19781524 0.69 L3MBTL1 (0.49) L3MBTL1HSD17B10
SCHEMBL20600772 0.67 L3MBTL1 (0.35) L3MBTL1HSD17B10
SCHEMBL14431560 0.67 NPC1 (0.32) NPC1MAPTRAB9ASMN1; SMN2L3MBTL1

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-2023091604-A1 ADENOSINE RECEPTOR ANTAGONISTS CROSSIGNAL THERAPEUTICS, INC. (US) 2023-05-25 WO disclosed