SCHEMBL7877546

SCHEMBL7877546

Cc1[nH]c2ccccc2c1CC(=O)Cl

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.73
ALDH1A1 P00352 4/20 0.73
KDM4E B2RXH2 3/20 0.73
GAA P10253 2/20 0.73
CASP1 P29466 1/20 0.73
CASP7 P55210 1/20 0.73
HTT P42858 2/20 0.58
TSHR P16473 1/20 0.58
POLB P06746 1/20 0.57
CYP3A4 P08684 1/20 0.56
SLC2A1 P11166 1/20 0.55
KMT2A Q03164 2/20 0.54
MITF O75030 1/20 0.54
LMNA P02545 1/20 0.54
RAB9A P51151 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
PABPC1 P11940 1/20 0.52
ALOX15 P16050 1/20 0.52
HTR6 P50406 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL29612371 0.85 KDM4E (1.00) MAPTALDH1A1KDM4EGAACASP1
SCHEMBL379103 0.85 KDM4E (1.00) MAPTALDH1A1KDM4EGAACASP1
SCHEMBL28092663 0.85 MAPT (0.76) MAPTALDH1A1KDM4EGAACASP1
SCHEMBL15281758 0.85 MAPT (0.76) MAPTALDH1A1KDM4EGAACASP1
SCHEMBL20037042 0.84 KLK6 (0.61) MAPTALDH1A1KDM4EGAACASP1
SCHEMBL30254999 0.83 ALDH1A1 (0.73) MAPTALDH1A1KDM4EGAACASP1
Hydrochloric Acid SCHEMBL1372439 0.83 KDM4E (0.97) MAPTALDH1A1KDM4EGAACASP1
SCHEMBL3382621 0.83 ALDH1A1 (0.73) MAPTALDH1A1KDM4EGAACASP1
SCHEMBL21944455 0.82 MAPT (0.71) MAPTALDH1A1KDM4EGAACASP1
SCHEMBL25139719 0.81 MAPT (0.69) MAPTALDH1A1KDM4EGAACASP1

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-H2007-H1 INSECTICIDES FMC CORPORATION 2001-12-04 US disclosed
WO-1997026252-A1 INSECTICIDAL N-HETEROCYCLYLALKYL- OR N-[(POLYCYCLYL)-ALKYL]-N'-SUBSTITUTED PIPERAZINES FMC CORPORATION (US) 1997-07-24 WO disclosed