SCHEMBL9480247

SCHEMBL9480247

CCOc1n[c]ccc1C#N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
KDM4E B2RXH2 1/20 0.43
SQOR Q9Y6N5 1/20 0.36
MAPK8 P45983 5/20 0.35
MAPK9 P45984 4/20 0.35
MAPK10 P53779 3/20 0.35
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
NPC1 O15118 2/20 0.33
ALDH1A1 P00352 2/20 0.33
RAB9A P51151 2/20 0.33
MEN1 O00255 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33
RPS27 P42677 1/20 0.33
GLA P06280 1/20 0.33
HPGD P15428 2/20 0.32

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
SCHEMBL4757275 0.80 KDM4E (0.42) L3MBTL1GAAKDM4ESQORALDH1A1
SCHEMBL18691123 0.79 MBOAT4 (0.38) HCRTR1HCRTR2
SCHEMBL17316862 0.76 LMNA (0.38) KDM4EMAPK8MAPK9CYP11B1CYP11B2
SCHEMBL10371014 0.74 L3MBTL1 (0.55) L3MBTL1GAAMAPTTDP1KDM4E
SCHEMBL9479813 0.73 L3MBTL1 (0.36) L3MBTL1GAAMAPTTDP1KDM4E
SCHEMBL249966 0.71 L3MBTL1 (0.49) L3MBTL1GAAMAPTTDP1KDM4E
SCHEMBL13836000 0.70
SCHEMBL25413494 0.69 CFTR (0.34) KDM4EKMT2AHPGDSMN1; SMN2CYP1A2
SCHEMBL2230830 0.69 L3MBTL1 (0.61) L3MBTL1GAAMAPTTDP1KDM4E
SCHEMBL1145995 0.69 GAA (0.54) L3MBTL1GAAMAPTTDP1KDM4E

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