SCHEMBL5791522

SCHEMBL5791522

O=C(OC1CC1)c1ccc(I)cc1

nearest known ligand 0.73

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 3/20 0.71
PTPN1 P18031 3/20 0.71
SERPINE1 P05121 1/20 0.52
SCN1A P35498 2/20 0.51
SCN2A Q99250 2/20 0.51
SCN3A Q9NY46 2/20 0.51
STS P08842 4/20 0.49
MAPT P10636 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
PTPRF P10586 1/20 0.47
NPC1 O15118 1/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.45
TPMT P51580 1/20 0.45
CHRNA7 P36544 1/20 0.45

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
SCHEMBL25490795 1.00 PTPN2 (0.71) PTPN2PTPN1SERPINE1SCN1ASCN2A
SCHEMBL27613024 0.89 SERPINE1 (0.61) PTPN2PTPN1SERPINE1SCN1ASCN2A
SCHEMBL7407145 0.88 PTPN2 (0.61) PTPN2PTPN1SERPINE1SCN1ASCN2A
SCHEMBL1839004 0.85 SCN1A (0.75) PTPN2PTPN1SCN1ASCN2ASCN3A
SCHEMBL9421310 0.82 SERPINE1 (0.58) PTPN2PTPN1SERPINE1SCN1ASCN2A
SCHEMBL30540804 0.82 SERPINE1 (0.58) PTPN2PTPN1SERPINE1SCN1ASCN2A
SCHEMBL777809 0.82 SERPINE1 (0.58) PTPN2PTPN1SERPINE1SCN1ASCN2A
SCHEMBL2589481 0.82 SERPINE1 (0.53) PTPN2PTPN1SERPINE1SCN1ASCN2A
SCHEMBL31113478 0.81 PTPN2 (0.57) PTPN2PTPN1SCN1ASCN2ASCN3A
SCHEMBL1976081 0.81 STS (0.62) PTPN2PTPN1SERPINE1SCN1ASCN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105745212-B Spiro derivatives of substituted 4, 5-dihydropyrazolo [3,4-c ] pyridin-2-ones and uses thereof 四川海思科制药有限公司 2017-09-12 CN disclosed
EP-1505966-A4 1,1-DISUBSTITUTED CYCLOALKYL DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2006-08-30 EP disclosed
EP-1505966-A1 1,1-DISUBSTITUTED CYCLOALKYL DERIVATIVES AS FACTOR XA INHIBITORS Bristol-Myers Squibb Company (US) 2005-02-16 EP disclosed
WO-2003099276-A1 1,1-DISUBSTITUTED CYCLOALKYL DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-12-04 WO disclosed