SCHEMBL13634933

SCHEMBL13634933

CCCNC(=O)c1cc(C2CCN(C(=O)OC(C)(C)C)C2)ccc1NC(=O)c1csc(N2CC[C@H](OC)C2)n1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.41
TP53 P04637 4/20 0.37
EED O75530 1/20 0.37
RBBP4 Q09028 1/20 0.37
SUZ12 Q15022 1/20 0.37
EZH2 Q15910 1/20 0.37
AEBP2 Q6ZN18 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.37
PIK3CD O00329 2/20 0.37
LMNA P02545 2/20 0.36
USP30 Q70CQ3 1/20 0.36
ACKR3 P25106 1/20 0.36

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
SCHEMBL2773656 0.95 KDM4E (0.43) PDE4BTP53EEDRBBP4SUZ12
SCHEMBL13634910 0.88 PIN1 (0.35)
SCHEMBL13634575 0.86 TBK1 (0.37) TP53USP30ACKR3
SCHEMBL13634913 0.86 TBK1 (0.37) TP53USP30ACKR3
SCHEMBL13634773 0.85 CHEK1 (0.37)
SCHEMBL13634658 0.85 GLS (0.40)
SCHEMBL13634760 0.83 GLS (0.40) TP53
SCHEMBL13638923 0.82 PIN1 (0.35) MEN1KMT2A
SCHEMBL13634751 0.82 GLS (0.39)
SCHEMBL13634924 0.82 GLS (0.39) HPGD

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
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed