SCHEMBL25035750

SCHEMBL25035750

O=c1cc(CCC(F)(F)F)n2c(SCc3c(F)cccc3Cl)nnc2[nH]1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.49
MAPT P10636 10/20 0.45
POLB P06746 3/20 0.45
SMN1; SMN2 Q16637 5/20 0.44
RAB9A P51151 2/20 0.44
TP53 P04637 3/20 0.43
HTT P42858 2/20 0.41
ALDH1A1 P00352 2/20 0.41
NPC1 O15118 2/20 0.41
TSHR P16473 1/20 0.41
PKM P14618 1/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL31224595 1.00 LMNA (0.49) LMNAMAPTPOLBSMN1; SMN2RAB9A
SCHEMBL25036318 0.88 LMNA (0.48) LMNAMAPTPOLBSMN1; SMN2RAB9A
SCHEMBL30939032 0.88 LMNA (0.48) LMNAMAPTPOLBSMN1; SMN2RAB9A
SCHEMBL30939039 0.86 LMNA (0.47) LMNAMAPTPOLBSMN1; SMN2RAB9A
SCHEMBL25035747 0.86 LMNA (0.47) LMNAMAPTPOLBSMN1; SMN2RAB9A
SCHEMBL25035746 0.86 LMNA (0.50) LMNAMAPTPOLBSMN1; SMN2RAB9A
SCHEMBL30939048 0.86 LMNA (0.50) LMNAMAPTPOLBSMN1; SMN2RAB9A
SCHEMBL25035748 0.83 LMNA (0.48) LMNAMAPTPOLBSMN1; SMN2RAB9A
SCHEMBL25035740 0.83 LMNA (0.48) LMNAMAPTPOLBSMN1; SMN2RAB9A
SCHEMBL25035745 0.83 LMNA (0.52) LMNAMAPTPOLBSMN1; SMN2RAB9A

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-2023017154-A1 [1,2,4]TRIAZOLO[4,3-A]PYRIMIDIN-7(8H)-ONE AS MITOCHONDRIAL PYRUVATE CARRIER INHIBITORS FOR USE IN THE TREATMENT OF CANCER MPC THERAPEUTICS SA (CH) 2023-02-16 WO disclosed