SCHEMBL12969366

SCHEMBL12969366

CNc1cccc2c1C=CCC2

nearest known ligand 0.31

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.31
TDP1 Q9NUW8 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
KDM4E B2RXH2 1/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
HPGD P15428 1/20 0.31
RECQL P46063 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HSD17B10 Q99714 1/20 0.31
EGFR P00533 1/20 0.30
PABPC1 P11940 1/20 0.30
MAPK1 P28482 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL28500585 0.81 MAPT (0.33) MAPTTDP1L3MBTL1KDM4EUSP2
SCHEMBL18602231 0.78 NPC1 (0.47) KDM4EALDH1A1POLBHPGDHSD17B10
SCHEMBL14420497 0.77 ALDH1A1 (0.45) MAPTTDP1L3MBTL1KDM4EALDH1A1
SCHEMBL13103327 0.77 GAA (0.42) MAPTTDP1L3MBTL1KDM4EALDH1A1
SCHEMBL18602458 0.75 ALDH1A1 (0.33) L3MBTL1KDM4EALDH1A1RECQLRAB9A
SCHEMBL10644473 0.75 CNR2 (0.38) MAPTL3MBTL1KDM4EALDH1A1HPGD
SCHEMBL19390301 0.75 ACHE (0.33) ALDH1A1HPGDSMN1; SMN2
SCHEMBL13488450 0.74 IFNAR1 (0.33)
SCHEMBL28259951 0.74 APP (0.32)
SCHEMBL25079074 0.71 DRD2 (0.34)

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
WO-2012135636-A1 LANTIBIOTIC NAI-802, PHARMACEUTICALLY ACCEPTABLE SALTS, COMPOSITIONS, AND USES THEREOF SENTINELLA PHARMACEUTICALS, INC. (US) 2012-10-04 WO disclosed