SCHEMBL4049704

SCHEMBL4049704

CC(C)(C)[C@H](NC(=O)O)c1nnc(NC(=O)C2CC2)o1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
RAB9A P51151 4/20 0.40
KDM4E B2RXH2 2/20 0.40
RECQL P46063 1/20 0.40
HPGD P15428 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.36
CNR2 P34972 1/20 0.36
HTT P42858 1/20 0.36
EPHX2 P34913 2/20 0.35
GLA P06280 1/20 0.35
NPC1 O15118 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL12899381 0.85 KMT2A (0.41) ALDH1A1RAB9AKDM4ERECQL
SCHEMBL13690889 0.85 KMT2A (0.41) ALDH1A1RAB9AKDM4ERECQL
SCHEMBL1218374 0.81 EPHX2 (0.33) KDM4EL3MBTL1CNR2EPHX2
SCHEMBL13688986 0.80 ALDH1A1 (0.42) ALDH1A1RAB9AKDM4ERECQLHPGD
SCHEMBL12898783 0.80 ALDH1A1 (0.42) ALDH1A1RAB9AKDM4ERECQLHPGD
Hydrochloric Acid SCHEMBL1215813 0.79 ALDH1A1 (0.41) ALDH1A1RAB9AKDM4ERECQLHPGD
SCHEMBL1217295 0.77 ALDH1A1 (0.38) ALDH1A1RAB9AKDM4ERECQLHPGD
SCHEMBL1217313 0.73 USP30 (0.44) ALDH1A1CNR2
SCHEMBL2780999 0.72 CNR2 (0.34) CNR2
SCHEMBL2831684 0.70 CTSK (0.34) ALDH1A1KDM4ECNR2

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-2009106980-A2 INDAZOLE DERIVATIVES PFIZER INC. (US) 2009-09-03 WO disclosed