SCHEMBL10656238

SCHEMBL10656238

CCCCCn1cc(F)c(=O)n(CCCCC)c1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
KDM4E B2RXH2 1/20 0.51
MAPT P10636 1/20 0.51
KMT2A Q03164 2/20 0.47
LMNA P02545 1/20 0.47
MEN1 O00255 1/20 0.42
ADORA2B P29275 2/20 0.42
TNF P01375 2/20 0.39
ADORA2A P29274 3/20 0.39
PDE4A P27815 2/20 0.39
PDE4B Q07343 2/20 0.39
PDE4C Q08493 2/20 0.39
PDE4D Q08499 2/20 0.39
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ADRA2A P08913 1/20 0.37
PTGS1 P23219 3/20 0.37
PTGS2 P35354 3/20 0.37
MGLL Q99685 2/20 0.37
FAAH O00519 1/20 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
SCHEMBL19148089 0.98 ALDH1A1 (0.53) ALDH1A1KDM4EMAPTKMT2ALMNA
SCHEMBL19147865 0.98 ALDH1A1 (0.53) ALDH1A1KDM4EMAPTKMT2ALMNA
SCHEMBL19147853 0.98 ALDH1A1 (0.53) ALDH1A1KDM4EMAPTKMT2ALMNA
SCHEMBL19147803 0.81 ALDH1A1 (0.45) ALDH1A1KDM4EMAPTKMT2ALMNA
SCHEMBL7196320 0.80 ADORA2B (0.49) KMT2AMEN1ADORA2BTNFADORA2A
SCHEMBL24205150 0.78 KMT2A (0.42) ALDH1A1KDM4EMAPTKMT2ALMNA
SCHEMBL27700732 0.77 RGS4 (0.42) ALDH1A1KMT2ALMNAMEN1ADORA2A
SCHEMBL9416281 0.77 TNF (0.42) ALDH1A1KDM4EMAPTLMNAADORA2B
SCHEMBL14185053 0.77 KMT2A (0.46) ALDH1A1KDM4EMAPTKMT2ALMNA
SCHEMBL9416283 0.76 ICMT (0.42) KMT2AMEN1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-55064575-A None JP disclosed
WO-2017123823-A1 ALKYL-, ACYL-, UREA-, AND AZA-URACIL SULFIDE:QUINONE OXIDOREDUCTASE INHIBITORS BIOELECTRON TECHNOLOGY CORPORATION (US) 2017-07-20 WO disclosed
EP-0265506-A1 A PRODRUG FORM OF 5-FLUOROURACIL AND A METHOD OF TREATMENT OF CANCER FARMACEUTISK LABORATORIUM FERRING A/S (DK) 1988-05-04 EP disclosed
WO-1987006581-A1 A PRODRUG FORM OF 5-FLUOROURACIL AND A METHOD OF TREATMENT OF CANCER FARMACEUTISK LABORATORIUM FERRING A/S (DK) 1987-11-05 WO disclosed
JP-S5564575-A PREPARATION OF 3-ACYL-5-FLUOROURACIL GRELAN PHARMACEUT CO LTD 1980-05-15 JP disclosed
US-4196202-A Carcinostatic composition containing 3-N-o-toluyl-5-fluorouracil producing the same OKADA TAIJI 1980-04-01 US disclosed
US-4088646-A ANTITUMOR AND ANTICARCINOGENIC AGENTS ASAHI KASEI KOGYO KABUSHIKI KAISHA (JA) 1978-05-09 US disclosed