SCHEMBL9161398

SCHEMBL9161398

CCCn1c(O)cc(C)c(CS(=O)(=O)O)c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.40
USP2 O75604 1/20 0.40
CNR2 P34972 2/20 0.34
ALDH1A1 P00352 4/20 0.34
HPGD P15428 3/20 0.34
HSD17B10 Q99714 3/20 0.34
LMNA P02545 2/20 0.34
POLB P06746 1/20 0.34
ADORA2B P29275 4/20 0.33
ADORA2A P29274 3/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
TYR P14679 1/20 0.33
HPD P32754 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 1/20 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
SCHEMBL9160763 0.92 ALDH1A1 (0.41) KDM4ECNR2ALDH1A1HPGDLMNA
SCHEMBL9157985 0.88 MEN1 (0.40) KDM4EALDH1A1HSD17B10LMNAMEN1
SCHEMBL4649769 0.88 KDM4E (0.38) KDM4EALDH1A1LMNAPOLB
SCHEMBL8751482 0.87
SCHEMBL6559661 0.85 CYP1A2 (0.36) KDM4EALDH1A1HPGDLMNACYP1A2
SCHEMBL9162887 0.85 ALDH1A1 (0.43) KDM4EUSP2ALDH1A1HPGDHSD17B10
SCHEMBL9478649 0.82 RXRA (0.35) ALDH1A1
SCHEMBL17087531 0.82 ALDH1A1 (0.40) KDM4EALDH1A1HPGDPOLBADORA2B
SCHEMBL9153890 0.81 TTR (0.32) KDM4EALDH1A1HPGDPOLB
SCHEMBL9160199 0.81 KDM4E (0.40) KDM4EALDH1A1HPGDHSD17B10LMNA

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