SCHEMBL3824645

SCHEMBL3824645

O=C(O)c1ccc2c(ccc[n+]2[O-])c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.45
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
CA12 O43570 3/20 0.44
CA2 P00918 3/20 0.44
CA9 Q16790 3/20 0.44
CA1 P00915 2/20 0.40
CA6 P23280 2/20 0.40
KDM4E B2RXH2 5/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
MGAM O43451 1/20 0.38
GAA P10253 2/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
CA4 P22748 1/20 0.37
PTGS2 P35354 1/20 0.37
CA7 P43166 1/20 0.37
CA14 Q9ULX7 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TSHR P16473 2/20 0.37

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
SCHEMBL3726302 1.00 PTPN1 (0.45) PTPN1KMT2AMEN1CA12CA2
SCHEMBL15046544 0.86 MEN1 (0.44) PTPN1KMT2AMEN1CA12CA2
SCHEMBL12571594 0.85 MAPT (0.47) KMT2AMEN1KDM4ESMN1; SMN2GAA
SCHEMBL5792614 0.85 LCK (0.43) KDM4ESMN1; SMN2POLBMAPTL3MBTL1
SCHEMBL1285843 0.81 ALOX15 (0.49) KMT2AMEN1CA12CA2CA9
SCHEMBL1285549 0.77 CA12 (0.48) KMT2AMEN1CA12CA2CA9
SCHEMBL909883 0.77 CA12 (0.40) KMT2AMEN1CA12CA2CA9
SCHEMBL4980048 0.77 KMT2A (0.51) KMT2AMEN1KDM4ESMN1; SMN2GAA
SCHEMBL4864106 0.77 ATM (0.44) PTPN1KMT2AMEN1CA12CA2
SCHEMBL12275774 0.71 ATM (0.41) CA2CA9CA1SMN1; SMN2MAPT

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-2091944-A2 SUBSTITUTED BICYCLOCARBOXYAMIDE COMPOUNDS Pfizer, Inc. (US) 2009-08-26 EP disclosed
WO-2008059370-A2 SUBSTITUTED BICYCLOCARBOXYAMIDE COMPOUNDS PFIZER JAPAN INC. (JP) 2008-05-22 WO disclosed