SCHEMBL6207970

SCHEMBL6207970

COc1nc2occc2nc1OC(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.35
HDAC6 Q9UBN7 1/20 0.35
POLB P06746 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
KDM4E B2RXH2 6/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33
TUBA1B P68363 1/20 0.33
TUBA4A P68366 1/20 0.33
TUBB4B P68371 1/20 0.33
TUBB3 Q13509 1/20 0.33
TUBB2A Q13885 1/20 0.33
TUBB8 Q3ZCM7 1/20 0.33
TUBA3E Q6PEY2 1/20 0.33
TUBA1A Q71U36 1/20 0.33
TUBA1C Q9BQE3 1/20 0.33
TUBB6 Q9BUF5 1/20 0.33

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
SCHEMBL6208492 0.84 ALDH1A1 (0.37) L3MBTL1POLBKDM4EADORA1GAA
SCHEMBL4849652 0.81 POLB (0.39) L3MBTL1HDAC6POLBTDP1KDM4E
SCHEMBL6210186 0.79 MAPT (0.32) TDP1ALDH1A1TSHRMAPT
SCHEMBL20893583 0.72 L3MBTL1 (0.35) L3MBTL1HDAC6TDP1ADORA2AGAA
SCHEMBL20893570 0.72 KDM4E (0.36) KDM4EADORA2AADORA1TUBB4ATUBB
SCHEMBL4855010 0.71 TARBP2 (0.42) L3MBTL1POLBKDM4EGAAALDH1A1
SCHEMBL20893577 0.71 L3MBTL1 (0.34) L3MBTL1HDAC6TDP1ADORA2AGAA
SCHEMBL6209061 0.70 L3MBTL1 (0.35) L3MBTL1HDAC6POLBTDP1KDM4E
SCHEMBL4854555 0.69 ALDH1A1 (0.36) KDM4EGAAALDH1A1LMNATSHR
SCHEMBL4857338 0.68 NPSR1 (0.41) KDM4EGAAALDH1A1LMNAHSD17B10

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-1440075-B1 NOVEL 3BETA-AMINO AZABICYCLOOCTANE HETEROAROMATIC AMIDE DERIVATIVES, PREPARATION METHOD AND THERAPEUTIC USES THEREOF PF MEDICAMENT (FR) 2005-06-08 EP claimed