SCHEMBL6719862

SCHEMBL6719862

CCCCCCCCOc1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.60
MAPT P10636 4/20 0.60
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
HSPB1 P04792 1/20 0.60
PLA2G4B P0C869 1/20 0.56
POLB P06746 1/20 0.54
TBXA2R P21731 3/20 0.53
TDP1 Q9NUW8 1/20 0.51
CYP19A1 P11511 4/20 0.50
LMNA P02545 2/20 0.48
KDM4E B2RXH2 1/20 0.48
GLA P06280 1/20 0.48
GAA P10253 1/20 0.48
HPGD P15428 1/20 0.48
HTT P42858 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48

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
SCHEMBL6720050 1.00 ALDH1A1 (0.60) ALDH1A1MAPTMEN1KMT2AHSPB1
SCHEMBL14337762 0.96 MAPT (0.56) ALDH1A1MAPTMEN1KMT2AHSPB1
SCHEMBL8973675 0.87 CYP19A1 (0.60) ALDH1A1MAPTKMT2APLA2G4BTDP1
SCHEMBL8973648 0.87 CYP19A1 (0.60) ALDH1A1MAPTKMT2APLA2G4BTDP1
SCHEMBL8973848 0.87 CYP19A1 (0.60) ALDH1A1MAPTKMT2APLA2G4BTDP1
SCHEMBL7569216 0.87 CYP19A1 (0.60) ALDH1A1MAPTKMT2APLA2G4BTDP1
SCHEMBL7786961 0.87 CYP19A1 (0.60) ALDH1A1MAPTKMT2APLA2G4BTDP1
SCHEMBL11572440 0.87 CYP19A1 (0.60) ALDH1A1MAPTKMT2APLA2G4BTDP1
SCHEMBL8973693 0.85 CYP19A1 (0.57) ALDH1A1MAPTMEN1KMT2APLA2G4B
SCHEMBL8973683 0.84 ALDH1A1 (0.56) ALDH1A1MAPTMEN1KMT2AHSPB1

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
US-6797344-B2 POLYIMIDE RESIN ACCORDING WHEREIN THE DIAMINE COMPRISES FOR EXAMPLE1-(4-(2,4-DIAMINOPHENOXY)PHENOXY)DODECANE ETERNAL CHEMICAL CO., LTD. (TW) 2004-09-28 US disclosed
US-20040084653-A1 Aromatic diamine derivatives, the preparation thereof and alignment film materials containing same for liquid crystal display cell DAXIN MATERIAL CORPORATION (TW) 2004-05-06 US disclosed