SCHEMBL9160199

SCHEMBL9160199

CC(=O)NCCn1c(O)cc(C)c(CS(=O)(=O)O)c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
TP53 P04637 2/20 0.40
NPSR1 Q6W5P4 3/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
GAA P10253 1/20 0.36
LMNA P02545 1/20 0.36
MTNR1A P48039 5/20 0.35
MTNR1B P49286 5/20 0.35
ALDH1A1 P00352 6/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
TSHR P16473 2/20 0.34
HSD17B10 Q99714 2/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL7888404 0.82 KDM4E (0.41) KDM4ETP53NPSR1MEN1KMT2A
SCHEMBL9161398 0.81 KDM4E (0.40) KDM4EMEN1KMT2AGAALMNA
SCHEMBL9157985 0.81 MEN1 (0.40) KDM4EMEN1KMT2AGAALMNA
SCHEMBL8751482 0.80
SCHEMBL11242010 0.80 KDM4E (0.46) KDM4ETP53NPSR1MEN1KMT2A
SCHEMBL9160763 0.79 ALDH1A1 (0.41) KDM4ENPSR1LMNAALDH1A1TSHR
SCHEMBL4649769 0.78 KDM4E (0.38) KDM4ELMNAALDH1A1SMN1; SMN2
SCHEMBL11315092 0.78 NPSR1 (0.39) KDM4ETP53NPSR1MEN1KMT2A
SCHEMBL9162887 0.78 ALDH1A1 (0.43) KDM4ETP53KMT2AGAAALDH1A1
SCHEMBL6559661 0.78 CYP1A2 (0.36) KDM4EMEN1KMT2ALMNAALDH1A1

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-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
US-4299764-A Azo reactive dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1981-11-10 US disclosed
US-4039523-A YELLOW CIBA-GEIGY AG (CH) 1977-08-02 US disclosed