SCHEMBL10325890

SCHEMBL10325890

CC(C)N1CCN(c2cc(N3CCN(C)C3=O)c3nc(-c4ncc(Cc5ccc(F)cc5)s4)c(O)c(=O)n3c2)CC1

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.32
OPRK1 P41145 1/20 0.32
CCR6 P51684 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
F12 P00748 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
PARP1 P09874 1/20 0.31
PAK1 Q13153 1/20 0.30

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
SCHEMBL1222203 0.91 CYP1A2 (0.36) SMN1; SMN2TDP1KDM4EALDH1A1MAPT
SCHEMBL1221729 0.87 CYP1A2 (0.36) SMN1; SMN2TDP1KDM4EALDH1A1MAPT
SCHEMBL1222312 0.87 PARP1 (0.32) GAAOPRK1CCR6SMN1; SMN2NPSR1
SCHEMBL15334697 0.84 PARP1 (0.35) ALDH1A1KMT2APARP1PAK1
SCHEMBL1221366 0.84 PIK3CD (0.37) ALDH1A1KMT2APARP1PAK1
SCHEMBL13512876 0.83 PARP1 (0.36) KMT2APARP1PAK1
SCHEMBL13512875 0.81 LMNA (0.33) ALDH1A1KMT2A
SCHEMBL12894145 0.81 CYP1A2 (0.34) SMN1; SMN2TDP1KDM4EALDH1A1MAPT
SCHEMBL1222138 0.80 CASP1 (0.35) SMN1; SMN2ALDH1A1KMT2A
SCHEMBL14749231 0.80 NPC1 (0.31) GAACCR6SMN1; SMN2PAK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012095388-A2 COMPOUNDS FOR TREATMENT OF FELINE LEUKEMIA IN FELIDAE Universität Zürich (CH) 2012-07-19 WO claimed
WO-2012095388-A2 COMPOUNDS FOR TREATMENT OF FELINE LEUKEMIA IN FELIDAE Universität Zürich (CH) 2012-07-19 WO disclosed
WO-2012095388-A2 COMPOUNDS FOR TREATMENT OF FELINE LEUKEMIA IN FELIDAE Universität Zürich (CH) 2012-07-19 WO disclosed