SCHEMBL16795271

SCHEMBL16795271

O=C(OC1CCN(C(=O)O)CC1)c1ccc(Br)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRF P10586 1/20 0.56
PTPN2 P17706 1/20 0.56
PTPN1 P18031 1/20 0.56
SCN1A P35498 2/20 0.52
SCN2A Q99250 2/20 0.52
SCN3A Q9NY46 2/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
CARM1 Q86X55 1/20 0.45
PRMT6 Q96LA8 1/20 0.45
HSD11B1 P28845 1/20 0.45
L3MBTL3 Q96JM7 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
POLB P06746 2/20 0.43
MAPT P10636 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
CHRNB2 P17787 1/20 0.43
CHRNA7 P36544 1/20 0.43
CHRNA4 P43681 1/20 0.43

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
SCHEMBL27964590 0.84 PTPN2 (0.71) PTPRFPTPN2PTPN1SCN1ASCN2A
SCHEMBL27517068 0.80 PTPRF (0.67) PTPRFPTPN2PTPN1SCN1ASCN2A
SCHEMBL20913216 0.79 SCN1A (0.50) PTPRFPTPN2PTPN1SCN1ASCN2A
SCHEMBL13169508 0.79 PTPRF (0.65) PTPRFPTPN2PTPN1SCN1ASCN2A
SCHEMBL21541871 0.78 MAPT (0.69) PTPRFPTPN2PTPN1SCN1ASCN2A
SCHEMBL3347314 0.78 CCR5 (0.49) KMT2AL3MBTL1POLBMAPTCYP2C9
SCHEMBL8549828 0.78 CHRM2 (0.59) SCN1ASCN2ASCN3AMEN1KMT2A
SCHEMBL7413532 0.78 PTPN2 (0.63) PTPRFPTPN2PTPN1SCN1ASCN2A
Hydrochloric Acid SCHEMBL8556272 0.77 CHRM2 (0.58) SCN1ASCN2ASCN3AMEN1KMT2A
SCHEMBL4218547 0.77 MEN1 (0.61) SCN1ASCN2ASCN3AMEN1KMT2A

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
WO-2015086693-A1 PYRAZOLOPYRIMIDIN-2-YL DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2015-06-18 WO disclosed