SCHEMBL8167442

SCHEMBL8167442

CC(O)N(Cc1ccccn1)Cc1ccccn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
LIN28A Q9H9Z2 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
CYP1A2 P05177 3/20 0.46
PTPRA P18433 1/20 0.46
KCNA5 P22460 1/20 0.45
ALDH1A1 P00352 2/20 0.44
CYP2C19 P33261 2/20 0.44
KMT2A Q03164 1/20 0.44
NR1H2 P55055 1/20 0.43
NR1H3 Q13133 1/20 0.43
CYP3A4 P08684 1/20 0.42
MLYCD O95822 1/20 0.42
FDPS P14324 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
KDM4E B2RXH2 1/20 0.41
HRH1 P35367 1/20 0.41
TSHR P16473 1/20 0.41
HIF1A Q16665 1/20 0.41

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
SCHEMBL8211631 0.93 TDP1 (0.55) MAPTSMN1; SMN2LIN28ATDP1CYP1A2
SCHEMBL8211501 0.87 TDP1 (0.49) MAPTSMN1; SMN2LIN28ATDP1CYP1A2
SCHEMBL29575247 0.87 TDP1 (0.67) MAPTSMN1; SMN2LIN28ATDP1CYP1A2
SCHEMBL8208725 0.87 TDP1 (0.67) MAPTSMN1; SMN2LIN28ATDP1CYP1A2
SCHEMBL5427963 0.86 MAPT (0.50) MAPTSMN1; SMN2LIN28ATDP1CYP1A2
SCHEMBL7095634 0.85 TDP1 (0.57) MAPTSMN1; SMN2LIN28ATDP1CYP1A2
SCHEMBL10261336 0.85 MAPT (0.57) MAPTSMN1; SMN2LIN28ATDP1CYP1A2
SCHEMBL12088818 0.80 SMN1; SMN2 (0.52) MAPTSMN1; SMN2LIN28ATDP1CYP1A2
SCHEMBL7093038 0.80 TDP1 (0.52) MAPTSMN1; SMN2LIN28ATDP1CYP1A2
SCHEMBL13263966 0.80 TDP1 (0.52) MAPTSMN1; SMN2LIN28ATDP1CYP1A2

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-5850086-A Iron complexes for bleach activation and stereospecific oxidation REGENTS OF THE UNIVERSITY OF MINNESOTA 1998-12-15 US claimed
WO-1997048710-A1 IRON COMPLEXES FOR BLEACH ACTIVATION AND STEREOSPECIFIC OXIDATION REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1997-12-24 WO claimed
WO-2015105184-A1 ANTI-MALARIAL AGENT 国立研究開発法人理化学研究所 2015-07-16 WO disclosed
US-6107528-A BLEACH AND OXIDATION CATALYST IS PROVIDED COMPRISING A CATALYTICALLY ACTIVE IRON COMPLEX WHICH CAN ACTIVATE HYDROGEN PEROXIDE OR PEROXY ACIDS REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2000-08-22 US disclosed
US-5850086-A Iron complexes for bleach activation and stereospecific oxidation REGENTS OF THE UNIVERSITY OF MINNESOTA 1998-12-15 US disclosed
WO-1997048710-A1 IRON COMPLEXES FOR BLEACH ACTIVATION AND STEREOSPECIFIC OXIDATION REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1997-12-24 WO disclosed