SCHEMBL8210372

SCHEMBL8210372

COC(=O)C(C)(C)CC(C)(C)CNCCNC(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.52
RAB9A P51151 4/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 5/20 0.46
GAA P10253 2/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
NPC1 O15118 3/20 0.46
TAAR1 Q96RJ0 1/20 0.46
KCNH2 Q12809 1/20 0.45
POLB P06746 1/20 0.45
KDM4E B2RXH2 1/20 0.45
USP2 O75604 1/20 0.45
LMNA P02545 1/20 0.45
THRB P10828 1/20 0.45
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44

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
SCHEMBL8209296 0.87 MAPT (0.51) MAPTRAB9AMEN1KMT2AALDH1A1
SCHEMBL8213824 0.85 MAPT (0.55) MAPTRAB9AMEN1KMT2AALDH1A1
SCHEMBL11621538 0.76 MAPT (0.81) MAPTRAB9AMEN1KMT2AALDH1A1
SCHEMBL4782773 0.75 MAPT (0.67) MAPTRAB9AMEN1KMT2AALDH1A1
SCHEMBL14066861 0.75 MAPT (0.61) MAPTRAB9AMEN1KMT2AALDH1A1
SCHEMBL12517440 0.74 MEN1 (0.74) MAPTRAB9AMEN1KMT2AALDH1A1
SCHEMBL751290 0.73 MAPT (0.60) MAPTRAB9AMEN1KMT2AALDH1A1
SCHEMBL9969486 0.73 MAPT (0.62) MAPTRAB9AMEN1KMT2AALDH1A1
SCHEMBL8209389 0.73 MAPT (0.67) MAPTRAB9AMEN1KMT2AALDH1A1
SCHEMBL9827893 0.72 MAPT (0.70) MAPTRAB9AMEN1KMT2AALDH1A1

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
WO-2008033747-A9 MULTI-FUNCTIONAL SMALL MOLECULES AS ANTI-PROLIFERATIVE AGENTS CURIS INC (MA) 2008-07-24 WO disclosed
WO-2008033744-A2 DNA METHYL TRANSFERASE INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. (US) 2008-03-20 WO disclosed
WO-2008033747-A2 MULTI-FUNCTIONAL SMALL MOLECULES AS ANTI-PROLIFERATIVE AGENTS CURIS, INC. (US) 2008-03-20 WO disclosed