SCHEMBL7694395

SCHEMBL7694395

O=CC(=O)Nc1sc2c(c1C(=O)O)CCN(CCc1ccccc1)C2

nearest known ligand 0.78

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 14/20 0.78
PTPN2 P17706 11/20 0.78
KDM4E B2RXH2 2/20 0.60
MEN1 O00255 1/20 0.60
ALDH1A1 P00352 1/20 0.60
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2D6 P10635 1/20 0.60
MAPT P10636 1/20 0.60
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60
KMT2A Q03164 1/20 0.60
PTPRA P18433 1/20 0.58
POLB P06746 1/20 0.56
GAA P10253 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.52

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
SCHEMBL6317692 0.88 PTPN1 (1.00) PTPN1PTPN2KDM4EMEN1ALDH1A1
SCHEMBL6315990 0.79 PTPN1 (0.84) PTPN1PTPN2PTPRA
SCHEMBL8288834 0.77 PTPN2 (0.65) PTPN1PTPN2KDM4EMEN1ALDH1A1
SCHEMBL7859688 0.77 PTPN1 (0.65) PTPN1PTPN2KDM4EMEN1ALDH1A1
SCHEMBL6315212 0.77 PTPN1 (1.00) PTPN1PTPN2KDM4EPTPRA
SCHEMBL28377333 0.76 MEN1 (0.83) PTPN1PTPN2KDM4EMEN1MAPT
SCHEMBL8288699 0.76 PTPN2 (0.63) PTPN1PTPN2KDM4EMEN1ALDH1A1
SCHEMBL8290859 0.76 KDM4E (0.61) PTPN1PTPN2KDM4EMEN1ALDH1A1
SCHEMBL8288753 0.75 ALDH1A1 (1.00) PTPN1PTPN2KDM4EMEN1ALDH1A1
SCHEMBL5506528 0.71 GAA (0.66) PTPN1PTPN2KDM4EMEN1ALDH1A1

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
US-6410586-B1 ANTICOAGULANTS; INSULIN RESISTANCE; ANTIALLERGENS NOVO NORDISK A/S (DK) 2002-06-25 US disclosed