SCHEMBL11761817

SCHEMBL11761817

Nc1c(OCCSc2ccccc2)cc(O)c2c1C(=O)c1ccccc1C2=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 2/20 0.44
▸ MEN1 O00255 6/20 0.41
▸ KMT2A Q03164 6/20 0.41
▸ MAPT P10636 5/20 0.41
▸ TDP1 Q9NUW8 4/20 0.41
▸ MAPK1 P28482 3/20 0.41
▸ HPGD P15428 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ MAOA P21397 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ DAPK1 P53355 2/20 0.41
▸ RECQL P46063 2/20 0.41
▸ TTR P02766 2/20 0.41
▸ CYP1A1 P04798 2/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ HSPD1 P10809 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ ALOX12 P18054 1/20 0.41
▸ ACHE P22303 1/20 0.41

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
SCHEMBL10085670 0.86 MEN1 (0.49) ADORA2AMEN1KMT2AMAPTTDP1
SCHEMBL10895437 0.84 KCNA3 (0.52) ADORA2AMEN1KMT2AMAPTTDP1
SCHEMBL29710714 0.83 MEN1 (0.46) ADORA2AMEN1KMT2AMAPTTDP1
SCHEMBL2837557 0.83 MEN1 (0.46) ADORA2AMEN1KMT2AMAPTTDP1
SCHEMBL11755924 0.82 MEN1 (0.43) ADORA2AMEN1KMT2AMAPTTDP1
SCHEMBL12311505 0.82 KCNA3 (0.54) ADORA2AMEN1KMT2AMAPTTDP1
SCHEMBL11759366 0.82 KCNA3 (0.58) ADORA2AMEN1KMT2AMAPTTDP1
SCHEMBL10086156 0.82 KCNA3 (0.47) ADORA2AMEN1KMT2AMAPTTDP1
SCHEMBL20126396 0.82 PTPN1 (0.46) ADORA2AMEN1KMT2AMAPTTDP1
SCHEMBL11801539 0.82 MEN1 (0.45) ADORA2AMEN1KMT2AMAPTTDP1

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
US-4008222-A POLYESTERS BAYER AKTIENGESELLSCHAFT (DT) 1977-02-15 — — US disclosed
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