SCHEMBL8777946

SCHEMBL8777946

NC(=O)N(O)Cc1ccc2c(c1)CCN2CCCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
TP53 P04637 3/20 0.41
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
CASP1 P29466 1/20 0.41
HTT P42858 1/20 0.41
CASP7 P55210 1/20 0.41
SMAD3 P84022 1/20 0.41
HSD17B10 Q99714 1/20 0.41
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ACHE P22303 3/20 0.40
PARP1 P09874 1/20 0.40
PARP2 Q9UGN5 1/20 0.40
NPC1 O15118 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
SCHEMBL9206959 0.94 MAPT (0.49) MAPTTP53KDM4EMEN1KMT2A
SCHEMBL9597526 0.87 ALDH1A1 (0.51) MAPTTP53KDM4EMEN1KMT2A
SCHEMBL4728528 0.86 ALOX5 (0.45) ACHEALOX5
SCHEMBL8777936 0.81 TP53 (0.52) MAPTTP53KDM4EMEN1KMT2A
SCHEMBL9029836 0.80 HDAC1 (0.53) MAPTTP53KDM4EMEN1KMT2A
SCHEMBL9088952 0.80 PTGER4 (0.51) MAPTALDH1A1GAATDP1MAPK1
SCHEMBL9088999 0.79 KDM4E (0.45) KDM4EALDH1A1LMNAGAAHTT
SCHEMBL4784159 0.78 ACHE (0.44) MAPTTP53ALDH1A1GAACASP1
SCHEMBL8777973 0.77 PTGER4 (0.46) KMT2AALOX5PTGER4PTGER2
SCHEMBL9086492 0.77 BRD4 (0.47) TP53KDM4EMEN1KMT2AALDH1A1

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
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