SCHEMBL8777936

SCHEMBL8777936

NC(=O)NCc1ccc2c(c1)CCN2CCCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.52
THRB P10828 1/20 0.48
LMNA P02545 6/20 0.45
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
ALDH1A1 P00352 3/20 0.44
GAA P10253 2/20 0.44
POLB P06746 2/20 0.42
ALOX5 P09917 1/20 0.42
EPHX2 P34913 1/20 0.42
TRPV1 Q8NER1 1/20 0.42
MGAT2 Q10469 1/20 0.42
KDM4E B2RXH2 2/20 0.42
MAPT P10636 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
CASP1 P29466 1/20 0.42
HTT P42858 1/20 0.42
CASP7 P55210 1/20 0.42
SMAD3 P84022 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL8777946 0.81 MAPT (0.41) TP53LMNAMEN1KMT2AALDH1A1
SCHEMBL8778025 0.79 PTGER4 (0.52) TP53THRBLMNAALDH1A1POLB
SCHEMBL8846256 0.78 TP53 (0.43) TP53THRBLMNAMEN1KMT2A
SCHEMBL8778095 0.78 FFAR1 (0.47) TP53LMNAALDH1A1GAAPOLB
SCHEMBL8777957 0.78 LMNA (0.48) TP53THRBLMNAPOLBMAPT
SCHEMBL16494203 0.77 GRIN2B (0.52) MEN1KMT2AALDH1A1
SCHEMBL8778007 0.77 LMNA (0.50) TP53THRBLMNAALDH1A1ALOX5
SCHEMBL9206959 0.75 MAPT (0.49) TP53THRBLMNAMEN1KMT2A
SCHEMBL8777898 0.74 MAPT (0.51) LMNAMEN1KMT2AGAAALOX5
SCHEMBL4728356 0.74 MAPT (0.51) TP53THRBLMNAMEN1KMT2A

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
EP-0651743-B1 INDOLINYL N-HYDROXYUREA AND N-HYDROXAMIC ACID DERIVATIVES AS LIPOXYGENASE INHIBITORS PFIZER (US) 1997-12-17 EP disclosed
WO-1994002459-A1 INDOLINYL N-HYDROZYUREA AND N-HYDROXAMIC ACID DERIVATIVES AS LIPOXYGENASE INHIBITORS PFIZER INC. (US) 1994-02-03 WO disclosed