SCHEMBL8940124

SCHEMBL8940124

Cc1c(NCC(C)C)c(=O)n(-c2ccccc2)n1C

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.68
CYP1A2 P05177 2/20 0.68
CYP2D6 P10635 2/20 0.68
PTGS2 P35354 1/20 0.65
GAA P10253 7/20 0.61
TSHR P16473 1/20 0.60
LMNA P02545 3/20 0.57
ADORA3 P0DMS8 1/20 0.57
KMT2A Q03164 2/20 0.56
MAPT P10636 3/20 0.56
ALDH1A1 P00352 1/20 0.55
POLB P06746 2/20 0.55
TDP1 Q9NUW8 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
GLA P06280 1/20 0.53

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
SCHEMBL8940421 0.84 GAA (0.65) KDM4ECYP1A2CYP2D6PTGS2GAA
SCHEMBL27472857 0.81 GAA (0.62) KDM4ECYP1A2CYP2D6PTGS2GAA
Ramifenazone SCHEMBL24763 0.81 KDM4E (1.00) KDM4ECYP1A2CYP2D6PTGS2GAA
Magnesium SCHEMBL29732237 0.80 KDM4E (0.68) KDM4ECYP1A2CYP2D6PTGS2GAA
Ramifenazone SCHEMBL3759490 0.79 KDM4E (0.97) KDM4ECYP1A2CYP2D6PTGS2GAA
Bisfenazone SCHEMBL2111251 0.79 PTGS2 (1.00) KDM4ECYP1A2CYP2D6PTGS2GAA
SCHEMBL537958 0.79 KDM4E (0.69) KDM4ECYP1A2CYP2D6PTGS2GAA
Ramifenazone SCHEMBL1652276 0.78 KDM4E (0.94) KDM4ECYP1A2CYP2D6PTGS2GAA
SCHEMBL11061329 0.78 GAA (0.62) KDM4ECYP1A2CYP2D6PTGS2GAA
SCHEMBL18000055 0.77 KDM4E (0.68) KDM4ECYP1A2CYP2D6PTGS2GAA

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
US-5518891-A SUBSTITUTED ANILINES, HYDRAZONES OR 4-AMINOANTIPYRINES ACTIMED LABORATORIES, INC. (US) 1996-05-21 US claimed
US-5518891-A SUBSTITUTED ANILINES, HYDRAZONES OR 4-AMINOANTIPYRINES ACTIMED LABORATORIES, INC. (US) 1996-05-21 US disclosed
US-4503145-A DIAGNOSIS OF LIVER DISORDERS FUJI PHOTO FILM CO., LTD. (JP) 1985-03-05 US disclosed
US-4478942-A CATIONIC DYE BOUND TO ANIONIC POLYMER FOR ASSAY OF HYDROGEN PEROXIDE FUJI PHOTO FILM CO., LTD. (JP) 1984-10-23 US disclosed