SCHEMBL2929513

SCHEMBL2929513

COCc1cccc(-c2ccc3cc(O)c(N4CCNS4(=O)=O)cc3c2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.41
JAK1 P23458 1/20 0.38
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
ERN1 O75460 1/20 0.36
PPARD Q03181 4/20 0.35
FFAR1 O14842 3/20 0.35
BACE1 P56817 1/20 0.34
CYP11B2 P19099 2/20 0.33
PIK3C3 Q8NEB9 1/20 0.33
GHSR Q92847 1/20 0.33
CYP11B1 P15538 1/20 0.33
ESR1 P03372 2/20 0.33
ESR2 Q92731 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
HSD17B1 P14061 1/20 0.33
CYP2B6 P20813 1/20 0.33

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
SCHEMBL629360 0.83 PTPN1 (0.63) PTPN1JAK1MTNR1AMTNR1BERN1
SCHEMBL2933403 0.81 PTPN1 (0.39) PTPN1ERN1BACE1PIK3C3ESR1
SCHEMBL27745940 0.81 PTPN1 (0.39) PTPN1JAK1MTNR1AMTNR1BERN1
SCHEMBL4556992 0.80 PTPN1 (0.39) PTPN1PIK3C3CHRM3
SCHEMBL4556988 0.79 FFAR1 (0.40) PTPN1FFAR1GHSRCHRM3
SCHEMBL2935759 0.79 PGR (0.39) PTPN1GHSR
SCHEMBL629950 0.73 PTPN1 (0.59) PTPN1
SCHEMBL630130 0.70 PTPN1 (0.58) PTPN1CHRM3
SCHEMBL4784071 0.70 PTPN1 (0.39) PTPN1PIK3C3
SCHEMBL4557317 0.70 PTPN1 (0.39) PTPN1PIK3C3

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
EP-2227245-A2 COMBINATION OF PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND HUMAN GROWTH HORMONE FOR THE TREATMENT OF MUSCLE ATROPHY AND RELATED DISORDERS Novartis AG (CH) 2010-09-15 EP disclosed
WO-2009068689-A2 COMBINATION OF PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND HUMAN GROWTH HORMONE FOR THE TREATMENT OF MUSCLE ATROPHY AND RELATED DISORDERS NOVARTIS AG (CH) 2009-06-04 WO disclosed