SCHEMBL4055759

SCHEMBL4055759

COC(=O)c1nn(CC(=O)NC(C)(C)C)c2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ELANE P08246 6/20 0.51
PLAU P00749 3/20 0.51
F2 P00734 2/20 0.51
NPC1 O15118 1/20 0.50
GAA P10253 1/20 0.50
KDM4E B2RXH2 3/20 0.47
HSD17B10 Q99714 1/20 0.47
ALDH1A1 P00352 2/20 0.46
LMNA P02545 1/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CNR2 P34972 5/20 0.45
CNR1 P21554 2/20 0.43
HTR3A P46098 1/20 0.41
CFD P00746 1/20 0.41

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
SCHEMBL13690463 0.88 MEN1 (0.49) ELANEPLAUF2NPC1GAA
SCHEMBL4055641 0.87 NPC1 (0.52) NPC1GAAKDM4EHSD17B10ALDH1A1
SCHEMBL7745247 0.83 ELANE (0.60) ELANEPLAUF2GAAKDM4E
SCHEMBL7745499 0.82 KDM4E (0.52) ELANEPLAUF2GAAKDM4E
SCHEMBL29805554 0.81 ELANE (0.54) ELANEPLAUF2KDM4EALDH1A1
SCHEMBL26204710 0.80 ELANE (0.59) ELANEPLAUF2KDM4EALDH1A1
SCHEMBL13690853 0.80 ELANE (0.64) ELANEPLAUF2GAAKDM4E
SCHEMBL4050207 0.78 CNR1 (0.70) NPC1GAAKDM4EHSD17B10ALDH1A1
SCHEMBL13691111 0.78 CNR1 (0.70) NPC1GAAKDM4EHSD17B10ALDH1A1
SCHEMBL31429235 0.78 ELANE (0.57) ELANEPLAUF2KDM4EALDH1A1

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