SCHEMBL931680

SCHEMBL931680

C=CCN(CC=C)c1ccc(F)c(C(=N)C2CC2)c1

nearest known ligand 0.36

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.31

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
SCHEMBL11525076 0.65 MEN1 (0.42) PTPN1
SCHEMBL851567 0.65 CHKA (0.50) PTPN1
SCHEMBL8524528 0.64 ALDH1A1 (0.42) PTPN1
SCHEMBL249284 0.64 CRHR1 (0.39) PTPN1
SCHEMBL11246200 0.64 SMN1; SMN2 (0.46) PTPN1
SCHEMBL931882 0.64 TRPV4 (0.34)
SCHEMBL8055482 0.62 ALDH1A1 (0.40) PTPN1
SCHEMBL10694157 0.62 CHKA (0.41) PTPN1
SCHEMBL9278793 0.61 PTPN1 (0.36) PTPN1
SCHEMBL1018958 0.60 ESR1 (0.45) PTPN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011002408-A1 NOVEL COMPOUNDS FOR TREATMENT OF NEURODEGENERATION ASSOCIATED WITH DISEASES, SUCH AS ALZHEIMER'S DISEASE OR DEMENTIA ASTRAZENECA AB (SE) 2011-01-06 WO disclosed
WO-2011002408-A1 NOVEL COMPOUNDS FOR TREATMENT OF NEURODEGENERATION ASSOCIATED WITH DISEASES, SUCH AS ALZHEIMER'S DISEASE OR DEMENTIA ASTRAZENECA AB (SE) 2011-01-06 WO disclosed