SCHEMBL4728356

SCHEMBL4728356

COc1cccc(CN2CCc3cc(CNC(N)=O)ccc32)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.51
PTGER4 P35408 1/20 0.49
PTGER2 P43116 1/20 0.49
LMNA P02545 3/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
TP53 P04637 1/20 0.47
THRB P10828 1/20 0.47
SIRT2 Q8IXJ6 1/20 0.47
SIRT1 Q96EB6 1/20 0.47
MEN1 O00255 1/20 0.47
GAA P10253 1/20 0.47
KMT2A Q03164 1/20 0.47
PKM P14618 1/20 0.47
ALDH1A1 P00352 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MMP13 P45452 1/20 0.46
POLB P06746 2/20 0.46
HPGD P15428 1/20 0.46

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
SCHEMBL8778025 0.90 PTGER4 (0.52) MAPTPTGER4PTGER2LMNATP53
SCHEMBL8778095 0.89 FFAR1 (0.47) MAPTLMNATP53GAAALDH1A1
SCHEMBL8778007 0.86 LMNA (0.50) LMNATP53THRBALDH1A1
SCHEMBL5082657 0.83 PTGER4 (0.48) MAPTPTGER4PTGER2LMNAHDAC1
SCHEMBL8778079 0.83 PTGER4 (0.49) MAPTPTGER4PTGER2HDAC1HDAC6
SCHEMBL8777898 0.82 MAPT (0.51) MAPTPTGER4PTGER2LMNAMEN1
SCHEMBL8777919 0.82 KEAP1 (0.49) PTGER4PTGER2HDAC1HDAC6SIRT2
SCHEMBL16494249 0.81 ACHE (0.55) MAPTLMNAHDAC1HDAC6TP53
SCHEMBL30104666 0.80 ALDH1A1 (0.68) LMNAMEN1KMT2AALDH1A1HTT
SCHEMBL8245692 0.80 ALDH1A1 (0.68) LMNAMEN1KMT2AALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008021210-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS COMBINATORX, INCORPORATED (US) 2008-02-21 WO disclosed
EP-0651743-B1 INDOLINYL N-HYDROXYUREA AND N-HYDROXAMIC ACID DERIVATIVES AS LIPOXYGENASE INHIBITORS PFIZER (US) 1997-12-17 EP disclosed