SCHEMBL7066322

SCHEMBL7066322

CCC(=O)N(CCNCc1ccccc1)c1cccc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.54
MMP9 P14780 1/20 0.46
ALDH1A1 P00352 5/20 0.45
KDM4E B2RXH2 2/20 0.45
TSHR P16473 2/20 0.45
SIGMAR1 Q99720 4/20 0.41
GSK3B P49841 1/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
PAX8 Q06710 1/20 0.41
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HSD17B10 Q99714 1/20 0.39
OPRM1 P35372 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
SCHEMBL3655880 0.71 MMP9 (0.55) L3MBTL1MMP9ALDH1A1KDM4ETSHR
SCHEMBL7443157 0.70 L3MBTL1 (0.50) L3MBTL1ALDH1A1KDM4EGSK3BKMT2A
SCHEMBL7470147 0.70 L3MBTL1 (0.50) L3MBTL1ALDH1A1KDM4EGSK3BKMT2A
SCHEMBL29076347 0.70 MMP9 (0.46) MMP9ALDH1A1KDM4ETSHRSIGMAR1
SCHEMBL11220240 0.70 RAB9A (0.60) L3MBTL1MMP9ALDH1A1KDM4ETSHR
SCHEMBL14229516 0.70 TP53 (0.50) L3MBTL1MMP9ALDH1A1KDM4ETSHR
SCHEMBL3807502 0.70 SIGMAR1 (0.62) L3MBTL1MMP9ALDH1A1KDM4ETSHR
SCHEMBL13007694 0.70 SIGMAR1 (0.61) L3MBTL1ALDH1A1KDM4ETSHRSIGMAR1
SCHEMBL1833549 0.68 MEN1 (0.52) ALDH1A1KDM4ESIGMAR1KMT2ARAB9A
SCHEMBL11516064 0.68 SIGMAR1 (0.49) L3MBTL1MMP9ALDH1A1KDM4ETSHR

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
EP-1178953-B1 AROMATIC AMIDES WARNER LAMBERT CO (US) 2003-12-03 EP claimed