SCHEMBL8777890

SCHEMBL8777890

CC(=O)N(O)Cc1ccc2c(c1)CCN2Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.45
ALOX5 P09917 7/20 0.45
EPHX2 P34913 4/20 0.45
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
TNF P01375 1/20 0.43
ACHE P22303 5/20 0.43
KCNT1 Q5JUK3 1/20 0.42
SLC22A12 Q96S37 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
SCHEMBL9597330 0.93 ACHE (0.49) ACHE
SCHEMBL4728528 0.88 ALOX5 (0.45) ALOX5EPHX2TNFACHEKCNT1
SCHEMBL9088740 0.85 ALOX5 (0.46) ALOX5EPHX2TNFACHEKCNT1
SCHEMBL9085805 0.84 ALOX5 (0.42) BRD4ALOX5EPHX2TNFACHE
SCHEMBL9598417 0.84 HDAC1 (0.56) ACHE
SCHEMBL9029836 0.81 HDAC1 (0.53) ACHE
Methane SCHEMBL27429811 0.81 TNF (0.46) BRD4ALOX5EPHX2TNFACHE
SCHEMBL9597233 0.80 HDAC1 (0.52) ACHE
SCHEMBL8777937 0.80 ALOX5 (0.55) ALOX5EPHX2KCNT1
SCHEMBL9089073 0.79 HDAC1 (0.43) ALOX5EPHX2

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 4 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
WO-1994002459-A1 INDOLINYL N-HYDROZYUREA AND N-HYDROXAMIC ACID DERIVATIVES AS LIPOXYGENASE INHIBITORS PFIZER INC. (US) 1994-02-03 WO disclosed