SCHEMBL4083852

SCHEMBL4083852

CCN(C(=O)c1cccc(C(N)=O)c1)c1cccc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.52
TSHR P16473 3/20 0.51
L3MBTL1 Q9Y468 1/20 0.45
ALDH1A1 P00352 5/20 0.45
KDM4E B2RXH2 2/20 0.45
KMT2A Q03164 3/20 0.43
LMNA P02545 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PTPN1 P18031 1/20 0.41
PARP1 P09874 3/20 0.41
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ACACB O00763 1/20 0.39
ACACA Q13085 1/20 0.39
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
SCHEMBL11833208 0.84 TSHR (0.51) SIGMAR1TSHRL3MBTL1ALDH1A1KDM4E
SCHEMBL11831804 0.81 SIGMAR1 (0.49) SIGMAR1TSHRL3MBTL1ALDH1A1KDM4E
SCHEMBL14427566 0.80 ALDH1A1 (0.52) SIGMAR1TSHRALDH1A1KMT2ANPSR1
SCHEMBL27515197 0.80 SIGMAR1 (0.62) SIGMAR1TSHRL3MBTL1ALDH1A1KDM4E
SCHEMBL11830078 0.80 SIGMAR1 (0.54) SIGMAR1TSHRL3MBTL1ALDH1A1KDM4E
SCHEMBL11830841 0.78 SIGMAR1 (0.52) SIGMAR1TSHRL3MBTL1ALDH1A1KDM4E
SCHEMBL11830823 0.78 SIGMAR1 (0.52) SIGMAR1TSHRL3MBTL1ALDH1A1KDM4E
SCHEMBL11839540 0.78 TSHR (0.53) SIGMAR1TSHRL3MBTL1ALDH1A1KDM4E
SCHEMBL3955369 0.77 KDM4E (0.47) SIGMAR1L3MBTL1ALDH1A1KDM4EKMT2A
SCHEMBL11827571 0.76 NPC1 (0.50) SIGMAR1TSHRL3MBTL1ALDH1A1KDM4E

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
WO-2009103778-A1 COMPOUNDS AND METHODS NOVASAID AB (SE) 2009-08-27 WO claimed
WO-2009103778-A1 COMPOUNDS AND METHODS NOVASAID AB (SE) 2009-08-27 WO disclosed