SCHEMBL8778007

SCHEMBL8778007

Cc1cccc(CN2CCc3cc(CNC(N)=O)ccc32)c1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.50
TP53 P04637 6/20 0.50
THRB P10828 3/20 0.48
BRD4 O60885 1/20 0.47
ALOX5 P09917 1/20 0.44
EPHX2 P34913 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP3A4 P08684 1/20 0.44
RECQL P46063 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL4728356 0.86 MAPT (0.51) LMNATP53THRBALDH1A1
SCHEMBL8777898 0.84 MAPT (0.51) LMNAALOX5EPHX2CYP3A4TDP1
SCHEMBL8778095 0.83 FFAR1 (0.47) LMNATP53ALOX5EPHX2KDM4E
SCHEMBL9086492 0.82 BRD4 (0.47) LMNATP53BRD4KDM4EALDH1A1
SCHEMBL8778009 0.80 BRD4 (0.47) BRD4KDM4EALDH1A1CYP3A4RECQL
SCHEMBL8777937 0.78 ALOX5 (0.55) LMNATP53THRBALOX5EPHX2
SCHEMBL5527522 0.78 KDM4E (0.61) TP53KDM4EALDH1A1RECQLTDP1
SCHEMBL8777936 0.77 TP53 (0.52) LMNATP53THRBALOX5EPHX2
SCHEMBL8778025 0.76 PTGER4 (0.52) LMNATP53THRBALDH1A1
SCHEMBL17358767 0.76 BRD4 (0.45) LMNABRD4ALOX5KDM4EALDH1A1

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 1 patent. 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