SCHEMBL6228754

SCHEMBL6228754

NC(=O)C(=O)Nc1sc2c(c1C(=O)O)CCOC2CN1C(=O)c2ccccc2S1(=O)=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.54
PTPN2 P17706 1/20 0.54
PTPRB P23467 1/20 0.54
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
LMNA P02545 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CA12 O43570 5/20 0.38
CA9 Q16790 4/20 0.38
CA2 P00918 2/20 0.38
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
TSHR P16473 1/20 0.37
ALDH1A1 P00352 6/20 0.37
HSD17B10 Q99714 1/20 0.37
CYP2C19 P33261 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MAPK1 P28482 1/20 0.37
TP53 P04637 1/20 0.36

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
SCHEMBL5838480 0.93 PTPN1 (0.62) PTPN1PTPN2PTPRBNPC1RAB9A
SCHEMBL6208795 0.78 PTPN1 (0.59) PTPN1PTPN2PTPRBCYP2C9ALDH1A1
SCHEMBL5837471 0.77 PTPN1 (0.46) PTPN1PTPN2PTPRBNPC1RAB9A
SCHEMBL5838411 0.76 PTPN1 (0.57) PTPN1PTPN2PTPRBRAB9ASMN1; SMN2
SCHEMBL5838673 0.76 PTPN1 (0.53) PTPN1PTPN2PTPRB
SCHEMBL6314421 0.73 PTPN1 (0.54) PTPN1PTPN2PTPRBNPC1RAB9A
SCHEMBL5838028 0.72 PTPN1 (0.63) PTPN1PTPN2PTPRB
SCHEMBL5837045 0.72 PTPN1 (0.52) PTPN1PTPN2PTPRB
SCHEMBL5843149 0.71 PTPN1 (0.55) PTPN1PTPN2PTPRBCA2SMN1; SMN2
SCHEMBL7861190 0.71 CYP1A2 (0.42) PTPN1PTPN2PTPRBLMNACYP2C9

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-1214325-B1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPases) NOVO NORDISK AS (DK) 2005-11-09 EP disclosed