SCHEMBL6891046

SCHEMBL6891046

CN(C)C(=O)[C@H]1CCCC(N(NC(=S)C(=O)Nc2cncc(Cl)c2)C(=O)O)C1

nearest known ligand 0.31

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 6/20 0.31
WDR77 Q9BQA1 6/20 0.31
MAPT P10636 1/20 0.31
GSK3B P49841 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
KEAP1 Q14145 1/20 0.30
NFE2L2 Q16236 1/20 0.30
PTGS2 P35354 1/20 0.30
PTGES O14684 1/20 0.30

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
SCHEMBL4955316 0.84 KCNQ3 (0.36)
SCHEMBL1504138 0.81 L3MBTL1 (0.42) MAPT
SCHEMBL6891023 0.77 F10 (0.38)
SCHEMBL4954432 0.77 RAB9A (0.43) MAPTMEN1KMT2AKEAP1NFE2L2
SCHEMBL1504064 0.76 GRM5 (0.38)
SCHEMBL4267987 0.73 RHOA (0.35) MAPTMEN1KMT2A
SCHEMBL1503995 0.72 L3MBTL1 (0.44)
SCHEMBL4265707 0.72 VNN1 (0.30)
SCHEMBL4955407 0.72 GLS (0.33)
SCHEMBL1504199 0.70 TSHR (0.36) MAPTMEN1KMT2A

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
EP-1415992-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-05-06 EP disclosed