SCHEMBL11242010

SCHEMBL11242010

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.46
TP53 P04637 1/20 0.46
GAA P10253 1/20 0.41
NPSR1 Q6W5P4 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 5/20 0.39
HSD17B10 Q99714 3/20 0.39
HPGD P15428 2/20 0.39
TSHR P16473 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 2/20 0.38
NQO2 P16083 1/20 0.37
MTNR1A P48039 5/20 0.37
MTNR1B P49286 5/20 0.37
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 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
SCHEMBL7893081 0.84 KDM4E (0.43) KDM4ETP53GAANPSR1MEN1
SCHEMBL7893080 0.84 KDM4E (0.48) KDM4ETP53GAANPSR1MEN1
SCHEMBL11423461 0.83 KDM4E (0.33) KDM4EMEN1KMT2AALDH1A1MAPT
SCHEMBL7888404 0.82 KDM4E (0.41) KDM4ETP53GAANPSR1MEN1
SCHEMBL9160199 0.80 KDM4E (0.40) KDM4ETP53GAANPSR1MEN1
SCHEMBL11423008 0.77 MEN1 (0.47) KDM4EGAAMEN1KMT2AALDH1A1
SCHEMBL7893162 0.77 KDM4E (0.47) KDM4ETP53GAANPSR1MEN1
SCHEMBL11421340 0.76 KDM4E (0.33) KDM4EMEN1KMT2ALMNAMAPT
SCHEMBL11429827 0.76 KDM4E (0.33) KDM4EMEN1KMT2ALMNAMAPT
SCHEMBL11424478 0.75 CXCR3 (0.34) HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4327018-A Azo dyes and the production and use thereof CIBA-GEIGY CORPORATION (US) 1982-04-27 US disclosed
US-4225491-A REACTIVE DYES FOR COTTON ICI UNITED STATES, INC. (US) 1980-09-30 US disclosed