SCHEMBL9480780

SCHEMBL9480780

N#Cc1c[c]nc(OC(=O)c2ccccc2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.40
MAPT P10636 6/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
MEN1 O00255 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALOX15 P16050 2/20 0.38
ESR1 P03372 2/20 0.38
ESR2 Q92731 2/20 0.38
ALDH1A1 P00352 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
HIF1A Q16665 1/20 0.36
SLC6A3 Q01959 1/20 0.36
LMNA P02545 2/20 0.36
METAP2 P50579 1/20 0.36
METAP1 P53582 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
F2 P00734 1/20 0.36

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
SCHEMBL9099269 0.79 MIF (0.43) KMT2AMAPTSMN1; SMN2KDM4EHPGD
SCHEMBL9479915 0.75 KMT2A (0.48) KMT2AMAPTMEN1TDP1ALDH1A1
SCHEMBL9096667 0.71 KMT2A (0.43) KMT2AMAPTSMN1; SMN2KDM4EHPGD
SCHEMBL9480093 0.71 MAOB (0.55) KMT2AMAPTSMN1; SMN2MEN1CYP1A2
SCHEMBL9099922 0.69 KMT2A (0.43) KMT2AMAPTSMN1; SMN2MEN1ALOX15
SCHEMBL1032753 0.69 PARP10 (0.59) KMT2AMAPTMEN1TDP1ALDH1A1
SCHEMBL28741088 0.69 PRSS1 (0.65) KMT2AMAPTMEN1TDP1ESR1
SCHEMBL29228749 0.69 CYP11B1 (0.54) KMT2AMAPTSMN1; SMN2MEN1ALOX15
SCHEMBL5652166 0.68 GSK3B (0.54) TDP1LMNAF2PRSS1ACR
SCHEMBL31607774 0.68 PTGDR2 (0.59) KMT2AMAPTSMN1; SMN2ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0247381-B1 5-FLUROROURACIL DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-08-04 EP disclosed
US-5047521-A Anticarcinogenic agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-09-10 US disclosed
EP-0247381-A2 5-flurorouracil derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1987-12-02 EP disclosed