SCHEMBL11295145

SCHEMBL11295145

CCCCn1c(O)cc(C)c(F)c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 9/20 0.43
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 6/20 0.40
KDM4E B2RXH2 2/20 0.40
LMNA P02545 2/20 0.40
HPGD P15428 1/20 0.40
TYR P14679 1/20 0.40
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
POLB P06746 1/20 0.38
PGR P06401 2/20 0.38
RORA P35398 2/20 0.38
RORC P51449 2/20 0.38
RORB Q92753 2/20 0.38
MAPT P10636 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MCOLN3 Q8TDD5 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
SCHEMBL11235843 0.83 TDP1 (0.42) CNR2TDP1L3MBTL1ALDH1A1KDM4E
SCHEMBL11324462 0.83 KDM4E (0.42) L3MBTL1ALDH1A1KDM4ELMNAPOLB
SCHEMBL11241641 0.81 ALDH1A1 (0.46) CNR2TDP1L3MBTL1ALDH1A1KDM4E
SCHEMBL623429 0.79 KDM4E (0.60) TDP1ALDH1A1KDM4ELMNAHPGD
SCHEMBL7580760 0.78 CNR2 (0.40) CNR2TDP1L3MBTL1ALDH1A1KDM4E
SCHEMBL11424517 0.78 RORA (0.39) CNR2TDP1L3MBTL1ALDH1A1KDM4E
SCHEMBL11431973 0.77 KDM4E (0.41) CNR2TDP1ALDH1A1KDM4EHPGD
SCHEMBL11231254 0.77 KDM4E (0.41) CNR2TDP1ALDH1A1KDM4EHPGD
SCHEMBL11023721 0.77 ALDH1A1 (0.49) CNR2TDP1L3MBTL1ALDH1A1KDM4E
SCHEMBL9347629 0.77 CNR2 (0.46) CNR2ALDH1A1KDM4ELMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0013936-B1 REACTIVE AZO DYESTUFFS, THEIR PREPARATION AND THEIR USE IN DYEING MATERIALS CONTAINING HYDROXYL GROUPS AND AMIDE GROUPS BAYER AG (DE) 1982-09-22 EP disclosed
US-4299764-A Azo reactive dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1981-11-10 US disclosed
EP-0013936-A1 Reactive azo dyestuffs, their preparation and their use in dyeing materials containing hydroxyl groups and amide groups BAYER AG (DE) 1980-08-06 EP disclosed
US-4017477-A 3-Halogeno-6-hydroxy-pyridone-(2) azo dyestuffs CIBA-GEIGY AG (CH) 1977-04-12 US disclosed