SCHEMBL9701522

SCHEMBL9701522

CCN(CC)c1ccc(N2CCN(Cc3cc(OC)ccc3O)CC2)nc1N(CC)CC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 7/20 0.45
TSHR P16473 4/20 0.45
LMNA P02545 4/20 0.42
MAPT P10636 2/20 0.42
HTT P42858 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
KDM4E B2RXH2 4/20 0.41
MAPK1 P28482 1/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP1A2 P05177 2/20 0.40
ERCC1 P07992 2/20 0.40
ERCC4 Q92889 2/20 0.40
CASP1 P29466 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
CASP7 P55210 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 1/20 0.39

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
SCHEMBL9703381 0.88 LMNA (0.40) GAATSHRLMNAMAPTKDM4E
SCHEMBL9689269 0.82 GAA (0.45) GAATSHRLMNAMAPTHTT
SCHEMBL9689527 0.81 L3MBTL1 (0.48) GAATSHRLMNAMAPTHTT
SCHEMBL9689427 0.75 CASP1 (0.65) GAATSHRLMNAMAPTHTT
SCHEMBL9227255 0.69 HRH3 (0.33) HTTALDH1A1CYP1A2CASP1CYP3A4
SCHEMBL9688189 0.69 LMNA (0.40) GAATSHRLMNAMAPTKDM4E
SCHEMBL9073389 0.68 HTR3E (0.44) HTTTDP1KDM4EMAPK1ALDH1A1
SCHEMBL9689577 0.68 LMNA (0.43) GAATSHRLMNAMAPTTDP1
SCHEMBL29942613 0.67 GAA (0.57) GAATSHRLMNAMAPTHTT
SCHEMBL24673156 0.67 GAA (0.56) GAATSHRLMNAMAPTHTT

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-5120843-A Nervous system disorders UPJOHN (US) 1992-06-09 US disclosed