SCHEMBL7434236

SCHEMBL7434236

O=C1CCN(CC(=O)Nc2c(Cl)cccc2Cl)CC1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.63
LMNA P02545 2/20 0.63
ALDH1A1 P00352 3/20 0.62
MAPT P10636 1/20 0.62
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
HPGD P15428 1/20 0.54
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
KDR P35968 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.50
DRD4 P21917 1/20 0.48
HSD17B10 Q99714 1/20 0.48
GFER P55789 1/20 0.48
TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL7435500 0.82 ALDH1A1 (0.57) LMNAALDH1A1MEN1KMT2ADRD4
SCHEMBL7289700 0.82 KDM4E (0.62) KDM4ELMNAALDH1A1MAPTNPC1
SCHEMBL7442119 0.81 RAB9A (0.48) KDM4ELMNAALDH1A1MAPTNPC1
Hydrochloric Acid SCHEMBL7525895 0.81 KDM4E (0.61) KDM4ELMNAALDH1A1MAPTNPC1
SCHEMBL7445611 0.79 POLB (0.59) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL7434820 0.77 ALDH1A1 (0.68) KDM4ELMNAALDH1A1NPC1RAB9A
SCHEMBL7437717 0.77 DGAT1 (0.47) ALDH1A1MEN1KMT2A
SCHEMBL7446265 0.77 TDP1 (0.56) KDM4ELMNAALDH1A1RAB9AMEN1
SCHEMBL7432879 0.74 ALDH1A1 (0.48) KDM4ELMNAALDH1A1MAPTNPC1
SCHEMBL9031046 0.74 DRD4 (0.60) KDM4ELMNAALDH1A1MAPTHPGD

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-4499100-A CARDIOUVASCULAR DISORDERS SYNTEX (U.S.A.) INC. (US) 1985-02-12 US disclosed