SCHEMBL8845757

SCHEMBL8845757

O=C(O)NC1(c2ccc3c(c2)CCN3CCCc2ccncc2)CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 2/20 0.35
MAPT P10636 2/20 0.35
KMT2A Q03164 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
GAA P10253 1/20 0.35
CASP1 P29466 1/20 0.35
HTT P42858 1/20 0.35
CASP7 P55210 1/20 0.35
SMAD3 P84022 1/20 0.35
HSD17B10 Q99714 1/20 0.35
NAMPT P43490 1/20 0.35
MGAT2 Q10469 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34

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
SCHEMBL9154539 0.76 ITGB3 (0.37) ALDH1A1NAMPTHRH3EPHX2
SCHEMBL8846256 0.74 TP53 (0.43) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL8845762 0.70 BCHE (0.47) ALDH1A1EPHX2ACHE
SCHEMBL30376267 0.67 HDAC1 (0.47) HDAC1HDAC6ALDH1A1KDM4EL3MBTL1
SCHEMBL9154489 0.66 EPHX2 (0.44) HDAC6EPHX2ACHE
SCHEMBL9652573 0.65 HRH3 (0.38) ALDH1A1MEN1KMT2AL3MBTL1HRH3
SCHEMBL16494203 0.64 GRIN2B (0.52) ALDH1A1MEN1KMT2AGRM5
SCHEMBL8777936 0.64 TP53 (0.52) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL8845748 0.62 DRD4 (0.36) MEN1KMT2ATP53MGAT2
SCHEMBL8778013 0.62 MEN1 (0.47) ALDH1A1KDM4EMEN1MAPTKMT2A

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
EP-0556308-B1 OXYSULFONYL UREA ACAT INHIBITORS WARNER LAMBERT CO (US) 1995-02-01 EP claimed
US-5688816-A COGNITION ACTIVATOR; ALZHEIMER'S DISEASE HOECHST MARION ROUSSEL, INC. (US) 1997-11-18 US disclosed