SCHEMBL6972654

SCHEMBL6972654

O=[N+]([O-])c1c[c]c(Oc2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.44
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
MAPT P10636 2/20 0.42
MAPK1 P28482 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HSPB1 P04792 1/20 0.42
HPGD P15428 2/20 0.42
MLNR O43193 1/20 0.42
MMP1 P03956 1/20 0.42
MPO P05164 1/20 0.42
CYP1A2 P05177 1/20 0.42
GLA P06280 1/20 0.42
CYP3A4 P08684 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
CYP19A1 P11511 1/20 0.42
CYP2C9 P11712 1/20 0.42
TSHR P16473 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
SCHEMBL1030905 0.84 APP (0.48) LMNAALDH1A1MEN1KMT2AMAPT
SCHEMBL6960847 0.84 ACHE (0.52) LMNAALDH1A1MEN1KMT2AMAPT
SCHEMBL5387739 0.80 LMNA (0.44) LMNAALDH1A1MEN1KMT2AMAPT
SCHEMBL6960838 0.78 SMN1; SMN2 (0.43) ALDH1A1MEN1KMT2AMAPTMAPK1
SCHEMBL8715421 0.78 ALDH1A1 (0.40) LMNAALDH1A1HSPB1TSHRHSD17B10
SCHEMBL4834040 0.77 HSPB1 (0.50) LMNAALDH1A1KDM4EMEN1KMT2A
SCHEMBL457863 0.76 HSPB1 (0.68) LMNAALDH1A1KDM4EMEN1KMT2A
SCHEMBL192974 0.75 HTT (0.44) LMNAALDH1A1MEN1KMT2AMAPT
Diphenylether SCHEMBL28998326 0.74 ALDH1A1 (0.73) LMNAALDH1A1KDM4EMEN1KMT2A
SCHEMBL8115250 0.73 HPGD (0.40) LMNAALDH1A1MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1182123-C Substituted bicyclic derivatives useful as anticancer agents �Ʒ� 2004-12-29 CN disclosed
EP-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP disclosed
CN-1333758-A Substituted bicyclic derivatives useful as anticancer agents PFIZER PROD INC (US) 2002-01-30 CN disclosed