SCHEMBL4921797

SCHEMBL4921797

C=CCN(c1ccc(N)cc1)c1ccc(N)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.43
CYP3A4 P08684 6/20 0.43
TDP1 Q9NUW8 6/20 0.43
MAPK1 P28482 3/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
TSHR P16473 2/20 0.43
GFER P55789 2/20 0.43
PSMD14 O00487 1/20 0.43
RECQL P46063 1/20 0.43
ALOX15 P16050 3/20 0.42
TP53 P04637 2/20 0.42
MAPT P10636 4/20 0.39
KDM4E B2RXH2 3/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.33

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
SCHEMBL9285160 0.92 CYP3A4 (0.54) ALDH1A1CYP3A4TDP1MAPK1L3MBTL1
SCHEMBL127344 0.84 ALDH1A1 (0.52) ALDH1A1CYP3A4TDP1MAPK1L3MBTL1
SCHEMBL9812129 0.82 ALDH1A1 (0.40) ALDH1A1CYP3A4TDP1MAPK1L3MBTL1
SCHEMBL6275564 0.80 ALDH1A1 (0.40) ALDH1A1CYP3A4TDP1MAPK1L3MBTL1
SCHEMBL6255892 0.80 ALDH1A1 (0.39) ALDH1A1CYP3A4TDP1MAPK1L3MBTL1
SCHEMBL11406187 0.80 ALDH1A1 (0.48) ALDH1A1CYP3A4TDP1MAPK1L3MBTL1
SCHEMBL7590353 0.79 ALDH1A1 (0.52) ALDH1A1CYP3A4TDP1MAPK1L3MBTL1
SCHEMBL8204834 0.77 ALDH1A1 (0.67) ALDH1A1CYP3A4TDP1MAPK1L3MBTL1
SCHEMBL6140286 0.76 CYP3A4 (0.52) ALDH1A1CYP3A4TDP1MAPK1L3MBTL1
SCHEMBL39946 0.75 ESR1 (0.44) ALDH1A1TSHRMAPTKDM4ECYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080287328-A1 LUBRICATING COMPOSITION AFTON CHEMICAL CORPORATION 2008-11-20 US disclosed
US-20080139421-A1 Lubricating Composition AFTON CHEMICAL CORPORATION 2008-06-12 US disclosed
US-20080139428-A1 A synergistic oil additive of a 1H-benzotriazole compound, and a nitrogen-containing compound, e.g., diphenylamine, and not including an alkyl bis-3-amino-1,2,4-triazole; oxidation resistance; diesel engines, particularly medium speed having a part including silver; marine, turbine and power engines AFTON CHEMICAL CORPORATION 2008-06-12 US disclosed
US-20080139422-A1 Lubricating Composition AFTON CHEMICAL CORPORATION 2008-06-12 US disclosed
US-20080139427-A1 LUBRICATING COMPOSITION HUTCHISON DAVID A 2008-06-12 US disclosed
US-5831087-A Macrocyclic imide compounds HOECHST CELANESE CORP. 1998-11-03 US disclosed