SCHEMBL7112688

SCHEMBL7112688

O=C(Nc1ccc(-c2ccc(O)cc2)cc1)c1ccccc1.O=C(Nc1ccc(-c2ccccc2)cc1)c1ccccc1

nearest known ligand 0.93

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DEGS1 O15121 1/20 0.93
PTPN1 P18031 4/20 0.82
POLB P06746 3/20 0.68
KDM4E B2RXH2 1/20 0.68
MIF P14174 1/20 0.68
TRPV1 Q8NER1 1/20 0.64
SMN1; SMN2 Q16637 2/20 0.63
STAT3 P40763 1/20 0.63
NPC1 O15118 4/20 0.62
RAB9A P51151 4/20 0.62
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
SIRT1 Q96EB6 1/20 0.62
NR1H4 Q96RI1 1/20 0.62
CTDSP1 Q9GZU7 2/20 0.61
MAPT P10636 2/20 0.61
CACNA1B Q00975 2/20 0.60
APBA1 Q02410 2/20 0.60
PSMD14 O00487 1/20 0.60
RECQL P46063 1/20 0.60

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
SCHEMBL11877527 0.96 DEGS1 (1.00) DEGS1PTPN1POLBKDM4EMIF
SCHEMBL14160276 0.93 PTPN1 (0.96) DEGS1PTPN1POLBKDM4ETRPV1
SCHEMBL10136221 0.93 PTPN1 (0.96) DEGS1PTPN1POLBKDM4ETRPV1
SCHEMBL679222 0.93 DEGS1 (0.79) DEGS1PTPN1POLBKDM4ESMN1; SMN2
SCHEMBL11688443 0.91 DEGS1 (0.83) DEGS1PTPN1POLBKDM4ESMN1; SMN2
SCHEMBL18085798 0.91 PTPN1 (1.00) DEGS1PTPN1POLBKDM4ETRPV1
SCHEMBL20284045 0.89 DEGS1 (0.86) DEGS1PTPN1POLBKDM4EMIF
SCHEMBL7107736 0.87 PTPN1 (0.72) DEGS1PTPN1POLBKDM4ETRPV1
SCHEMBL27984049 0.87 MEN1 (0.74) DEGS1PTPN1POLBSMN1; SMN2NPC1
SCHEMBL14484095 0.86 MEN1 (0.86) DEGS1PTPN1POLBKDM4ETRPV1

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-6794480-B2 POLYARYLENE-BASED COPOLYMER USEFUL AS PROTON-CONDUCTIVE MEMBRANE WHICH CAN BE USED AS ELECTRON FOR PRIMARY BATTERY, ELECTROLYTE FOR SECONDARY BATTERY, HIGH MOLECULAR SOLID ELECTROLYTE FOR FUEL CELL JSR CORPORATION (JP) 2004-09-21 US disclosed