SCHEMBL2831684

SCHEMBL2831684

CC(C)(C)[C@H](NC(=O)O)c1nnc(C(N)=O)o1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.34
CNR2 P34972 2/20 0.33
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.30
C3AR1 Q16581 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
SCHEMBL1218083 0.83 CTSK (0.49) CTSKALDH1A1KMT2A
SCHEMBL13689032 0.83 CTSK (0.49) CTSKALDH1A1KMT2A
SCHEMBL2780999 0.81 CNR2 (0.34) CNR2KMT2A
SCHEMBL1218374 0.79 EPHX2 (0.33) CNR2KDM4E
SCHEMBL12884857 0.76 PKM (0.36) CTSK
SCHEMBL12898792 0.76 CTSK (0.35) CTSKKMT2A
Hydrochloric Acid SCHEMBL1218339 0.74 PKM (0.39) CTSK
SCHEMBL1219536 0.71 KDM4E (0.30) KDM4EALDH1A1
SCHEMBL4057500 0.70
SCHEMBL4057504 0.69 HDAC8 (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2265335-A1 INDAZOLE DERIVATIVES Pfizer Inc. (US) 2010-12-29 EP disclosed
WO-2009106980-A2 INDAZOLE DERIVATIVES PFIZER INC. (US) 2009-09-03 WO disclosed
WO-2009106982-A1 INDAZOLE DERIVATIVES PFIZER INC. (US) 2009-09-03 WO disclosed