SCHEMBL11530504

SCHEMBL11530504

Cc1ccc(NCCNc2ccccc2)cc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.81
HTT P42858 2/20 0.63
HPGD P15428 2/20 0.62
ALDH1A1 P00352 2/20 0.58
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
L3MBTL1 Q9Y468 2/20 0.50
RPS6KA2 Q15349 1/20 0.48
GAA P10253 2/20 0.46
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.46
ALOX12 P18054 1/20 0.46
ACHE P22303 1/20 0.46
DRD4 P21917 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
ICMT O60725 1/20 0.44
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL2065837 0.90 MAPT (1.00) MAPTHTTHPGDALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL15329323 0.87 MAPT (0.94) MAPTHTTHPGDALDH1A1CYP1A2
SCHEMBL232188 0.84 MAPT (0.78) MAPTHTTALDH1A1CYP1A2CYP3A4
SCHEMBL11521297 0.83 MAPT (0.85) MAPTHTTHPGDALDH1A1CYP1A2
SCHEMBL11520411 0.83 MAPT (0.85) MAPTHTTHPGDALDH1A1CYP1A2
SCHEMBL3904496 0.83 L3MBTL1 (0.70) MAPTHTTHPGDALDH1A1CYP1A2
SCHEMBL248884 0.83 L3MBTL1 (0.70) MAPTHTTHPGDALDH1A1L3MBTL1
SCHEMBL1779091 0.82 HTT (0.70) MAPTHTTHPGDALDH1A1L3MBTL1
SCHEMBL11527382 0.82 MAPT (0.63) MAPTHTTHPGDALDH1A1CYP1A2
SCHEMBL1562142 0.82 MAPT (0.74) MAPTHTTALDH1A1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4161528-A INSECTICIDES; MITICIDES CELAMERCK GMBH & CO. KG. (DE) 1979-07-17 US disclosed