SCHEMBL28299722

SCHEMBL28299722

O=C(Nc1ccc(-c2c[c]ccc2)cc1)c1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 5/20 0.70
DEGS1 O15121 1/20 0.60
TRPV1 Q8NER1 1/20 0.56
POLB P06746 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
STAT3 P40763 1/20 0.55
NR1H4 Q96RI1 1/20 0.55
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
SIRT1 Q96EB6 1/20 0.54
KDM4E B2RXH2 1/20 0.54
MAPT P10636 2/20 0.54
CACNA1B Q00975 2/20 0.54
APBA1 Q02410 2/20 0.54
PSMD14 O00487 1/20 0.54
RECQL P46063 1/20 0.54
CTDSP1 Q9GZU7 1/20 0.54
SAE1 Q9UBE0 1/20 0.54

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
SCHEMBL10136221 0.85 PTPN1 (0.96) PTPN1DEGS1TRPV1POLBSMN1; SMN2
SCHEMBL14160276 0.85 PTPN1 (0.96) PTPN1DEGS1TRPV1POLBSMN1; SMN2
SCHEMBL6804880 0.84 PTPN1 (0.79) PTPN1DEGS1TRPV1POLBSMN1; SMN2
SCHEMBL18085798 0.83 PTPN1 (1.00) PTPN1DEGS1TRPV1POLBSMN1; SMN2
SCHEMBL750970 0.82 SIRT1 (0.58) PTPN1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL750529 0.82 KCNK3 (0.59) PTPN1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL2225814 0.80 SMN1; SMN2 (0.63) POLBSMN1; SMN2NR1H4MEN1KMT2A
SCHEMBL28469245 0.80 KIF11 (0.54) PTPN1SMN1; SMN2MEN1KMT2ANPC1
SCHEMBL14484095 0.79 MEN1 (0.86) PTPN1DEGS1TRPV1POLBSMN1; SMN2
SCHEMBL7112688 0.79 DEGS1 (0.93) PTPN1DEGS1TRPV1POLBSMN1; SMN2

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
CN-109761844-A A kind of method that one kettle way prepares 1- (4- benzamido-phenyl) -3- phenyl-propane -1,3- diketone 常州南京大学高新技术研究院 2019-05-17 CN claimed
CN-109761844-A A kind of method that one kettle way prepares 1- (4- benzamido-phenyl) -3- phenyl-propane -1,3- diketone 常州南京大学高新技术研究院 2019-05-17 CN disclosed