SCHEMBL7073582

SCHEMBL7073582

CCC(C)CCn1c(=O)c(C(=N)N)c(O)c2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.49
ALDH1A1 P00352 6/20 0.49
MEN1 O00255 6/20 0.49
KMT2A Q03164 6/20 0.49
HTT P42858 4/20 0.49
LMNA P02545 3/20 0.49
HPGD P15428 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
POLB P06746 3/20 0.47
TDP1 Q9NUW8 1/20 0.47
HSD17B10 Q99714 1/20 0.46
GAA P10253 1/20 0.45

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
SCHEMBL6208525 0.89 MEN1 (0.60) KDM4EALDH1A1MEN1KMT2AHTT
SCHEMBL7162258 0.79 KDM4E (0.47) KDM4EALDH1A1MEN1KMT2AHTT
SCHEMBL38660692 0.69 MEN1 (0.76) KDM4EALDH1A1MEN1KMT2AHTT
SCHEMBL6231890 0.69 ALDH1A1 (0.55) KDM4EALDH1A1MEN1KMT2AHTT
SCHEMBL6685738 0.69 ALDH1A1 (0.41) KDM4EALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL6235030 0.69 HSD17B10 (0.75) KDM4EALDH1A1HTTLMNAHPGD
SCHEMBL8244097 0.68 EGLN1 (0.69) KDM4EALDH1A1MEN1KMT2AHTT
SCHEMBL27854528 0.68 MEN1 (0.74) KDM4EALDH1A1MEN1KMT2AHTT
SCHEMBL7435419 0.67 KDM4E (0.72) KDM4EALDH1A1MEN1KMT2AHTT
SCHEMBL6232527 0.67 ALDH1A1 (0.52) KDM4EALDH1A1MEN1KMT2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003059356-A2 NOVEL ANTI-INFECTIVES SMITHKLINE BEECHAM CORPORATION (US) 2003-07-24 WO disclosed