SCHEMBL2933403

SCHEMBL2933403

CSc1cccc(-c2ccc3cc(O)c(N4CCNS4(=O)=O)cc3c2)c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.39
PIK3C3 Q8NEB9 2/20 0.35
ESR1 P03372 2/20 0.32
ESR2 Q92731 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
HSD17B1 P14061 1/20 0.32
CYP2B6 P20813 1/20 0.32
CYP2C19 P33261 1/20 0.32
HSD17B2 P37059 1/20 0.32
ALOX5 P09917 1/20 0.32
BACE1 P56817 2/20 0.32
MAPT P10636 1/20 0.31
ERN1 O75460 1/20 0.30
IDO1 P14902 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
SCHEMBL629533 0.82 PTPN1 (0.61) PTPN1BACE1
SCHEMBL2935759 0.81 PGR (0.39) PTPN1MAPT
SCHEMBL2929513 0.81 PTPN1 (0.41) PTPN1PIK3C3ESR1ESR2CYP1A2
SCHEMBL4556988 0.80 FFAR1 (0.40) PTPN1
SCHEMBL27818306 0.79 PTPN1 (0.36) PTPN1BACE1
SCHEMBL4784078 0.68 PTPN1 (0.39) PTPN1PIK3C3
SCHEMBL4557317 0.68 PTPN1 (0.39) PTPN1PIK3C3
SCHEMBL630508 0.67 PTPN1 (0.66) PTPN1ESR1ESR2
SCHEMBL629950 0.67 PTPN1 (0.59) PTPN1
SCHEMBL629611 0.66 PTPN1 (0.58) 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
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