SCHEMBL9160763

SCHEMBL9160763

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

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
LMNA P02545 2/20 0.41
KDM4E B2RXH2 2/20 0.41
HPGD P15428 2/20 0.41
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MCOLN3 Q8TDD5 1/20 0.39
CNR2 P34972 12/20 0.37
TSHR P16473 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CNR1 P21554 2/20 0.35
TYR P14679 1/20 0.35

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
SCHEMBL9161398 0.92 KDM4E (0.40) ALDH1A1LMNAKDM4EHPGDMAPT
SCHEMBL6559661 0.88 CYP1A2 (0.36) ALDH1A1LMNAKDM4EHPGDMAPT
SCHEMBL9157985 0.86 MEN1 (0.40) ALDH1A1LMNAKDM4EMAPT
SCHEMBL4649769 0.85 KDM4E (0.38) ALDH1A1LMNAKDM4EL3MBTL1
SCHEMBL17087531 0.85 ALDH1A1 (0.40) ALDH1A1KDM4EHPGDPDE4APDE4B
SCHEMBL9478649 0.85 RXRA (0.35) ALDH1A1TDP1
SCHEMBL8751482 0.84
SCHEMBL11241641 0.84 ALDH1A1 (0.46) ALDH1A1LMNAKDM4EHPGDMAPT
SCHEMBL11422224 0.84 KDM4E (0.39) ALDH1A1LMNAKDM4EHPGDMAPT
SCHEMBL9162887 0.82 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDMAPTTSHR

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
EP-0465829-B1 Reactive azodyes BAYER AG (DE) 1995-01-11 EP disclosed
US-5212289-A REACTIVE AZO DYESTUFFS OBTAINED BY COUPLING DIAZOTIZED ACYLAMINO-AMINOBENZENE SULFONIC ACID COMPOUNDS WITH PYRIDONE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 1993-05-18 US disclosed
EP-0465829-A1 Reactive azodyes BAYER AG (DE) 1992-01-15 EP disclosed
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-4039523-A YELLOW CIBA-GEIGY AG (CH) 1977-08-02 US disclosed