SCHEMBL8777934

SCHEMBL8777934

COc1cccc(CN2CCc3c(CN(O)C(N)=O)cccc32)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 2/20 0.51
SIRT2 Q8IXJ6 1/20 0.48
SIRT1 Q96EB6 1/20 0.48
PTGER4 P35408 3/20 0.46
PTGER2 P43116 3/20 0.46
KMT2A Q03164 4/20 0.43
GPR52 Q9Y2T5 1/20 0.43
MEN1 O00255 3/20 0.41
ATM Q13315 1/20 0.41
SIGMAR1 Q99720 1/20 0.40
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
LMNA P02545 1/20 0.40
RECQL P46063 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40

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
SCHEMBL9597479 0.84 KEAP1 (0.46) KEAP1SIRT2SIRT1PTGER4PTGER2
SCHEMBL9597655 0.83 KEAP1 (0.43) KEAP1SIRT2SIRT1PTGER4PTGER2
SCHEMBL8777919 0.83 KEAP1 (0.49) KEAP1SIRT2SIRT1PTGER4PTGER2
SCHEMBL5082657 0.82 PTGER4 (0.48) KEAP1SIRT2SIRT1PTGER4PTGER2
SCHEMBL9597102 0.81 PTGER4 (0.43) SIRT2SIRT1PTGER4PTGER2KMT2A
SCHEMBL9597204 0.80 HDAC1 (0.45) SIRT2SIRT1PTGER4PTGER2KMT2A
SCHEMBL9597631 0.80 PTGER4 (0.43) KEAP1SIRT2SIRT1PTGER4PTGER2
SCHEMBL9597600 0.79 HDAC1 (0.44) SIRT2SIRT1PTGER4PTGER2KMT2A
SCHEMBL9198265 0.78 HDAC1 (0.51) SIRT2SIRT1PTGER4PTGER2KMT2A
SCHEMBL9030409 0.78 HDAC1 (0.53) SIRT2SIRT1PTGER4PTGER2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0651743-B1 INDOLINYL N-HYDROXYUREA AND N-HYDROXAMIC ACID DERIVATIVES AS LIPOXYGENASE INHIBITORS PFIZER (US) 1997-12-17 EP disclosed
US-5541218-A Indolinyl N-hydroxyurea and N-hydroxamic acid derivatives as lipoxygenase inhibitors PFIZER INC. (US) 1996-07-30 US disclosed
EP-0651743-A1 INDOLINYL N-HYDROXYUREA AND N-HYDROXAMIC ACID DERIVATIVES AS LIPOXYGENASE INHIBITORS PFIZER INC. (US) 1995-05-10 EP disclosed
CN-1085894-A The indolinyl N-hydroxyurea of anti-inflammatory and N-hydroxamic acid derivs PFIZER (US) 1994-04-27 CN disclosed
WO-1994002459-A1 INDOLINYL N-HYDROZYUREA AND N-HYDROXAMIC ACID DERIVATIVES AS LIPOXYGENASE INHIBITORS PFIZER INC. (US) 1994-02-03 WO disclosed