SCHEMBL680891

SCHEMBL680891

Cn1c(CN2CCOCC2)c(C(=O)O)c(=O)n1-c1ccc(F)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
CD274 Q9NZQ7 1/20 0.41
ALDH1A1 P00352 2/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ATM Q13315 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
AKR1C3 P42330 1/20 0.40
HTR3A P46098 1/20 0.39
MEN1 O00255 1/20 0.39
TDP2 O95551 1/20 0.39
CASP6 P55212 1/20 0.39
UBE2I P63279 1/20 0.39
KMT2A Q03164 1/20 0.39
HKDC1 Q2TB90 1/20 0.39
SAE1 Q9UBE0 1/20 0.39
UBA2 Q9UBT2 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL680403 0.88 ALDH1A1 (0.45) ALDH1A1HSD17B10NPC1RAB9AHTR3A
SCHEMBL679238 0.86 NPSR1 (0.46) LMNAALDH1A1RAB9AMEN1KMT2A
SCHEMBL1259421 0.79 FPR2 (0.42) LMNAALDH1A1HSD17B10MEN1KMT2A
SCHEMBL199491 0.78 IGF1R (0.47) ALDH1A1MEN1KMT2ASMN1; SMN2HTT
SCHEMBL2676725 0.75 HTR3A (0.47) LMNACD274ALDH1A1CASP1CASP7
SCHEMBL680508 0.75 HTT (0.40) LMNAALDH1A1HSD17B10MEN1KMT2A
SCHEMBL681007 0.75 KMT2A (0.45) LMNAALDH1A1HSD17B10MEN1KMT2A
SCHEMBL367875 0.72 FPR2 (0.52) ALDH1A1HSD17B10MEN1KMT2ASMN1; SMN2
SCHEMBL4463803 0.70 GAA (0.48) LMNAALDH1A1SMN1; SMN2
SCHEMBL4332386 0.70 SMO (0.54) LMNAALDH1A1SMN1; SMN2HTT

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-2310382-B1 AMIDOPHENOXYINDAZOLES USEFUL AS INHIBITORS OF C-MET LILLY CO ELI (US) 2012-02-22 EP disclosed