SCHEMBL21769885

SCHEMBL21769885

Cc1cc(C)c(N(CC(=O)Nc2ccc(-c3ncon3)cc2)C(=O)C2CCSCC2)c(C)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ CETP P11597 8/20 0.34
▸ ALDH1A1 P00352 3/20 0.33
▸ GAA P10253 3/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ NFKB2 Q00653 1/20 0.33
▸ RELA Q04206 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ HCRTR1 O43613 1/20 0.33
▸ HCRTR2 O43614 1/20 0.33
▸ MAPT P10636 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ ADORA2A P29274 1/20 0.33
▸ ADORA1 P30542 1/20 0.33
▸ GPR119 Q8TDV5 1/20 0.32

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
SCHEMBL21769571 0.93 SLC6A9 (0.36) MAPT
SCHEMBL3892309 0.93 NPC1 (0.37) KDM4ENPC1RAB9ASMN1; SMN2NPSR1
SCHEMBL21769874 0.91 MAPT (0.38) ALDH1A1GAAKDM4ENPC1RAB9A
SCHEMBL21769853 0.91 POLB (0.38) POLBCETPALDH1A1GAAKDM4E
SCHEMBL21769886 0.89 POLB (0.36) POLBTDP1CETPALDH1A1GAA
SCHEMBL17923455 0.89 MAPT (0.37) TDP1ALDH1A1GAAKDM4ENPC1
SCHEMBL21769731 0.87 KMT2A (0.40) POLBALDH1A1KDM4ENPC1RAB9A
SCHEMBL21769566 0.87 KMT2A (0.37) POLBALDH1A1GAAKDM4ENPC1
SCHEMBL21769573 0.86 POLB (0.39) POLBALDH1A1GAANPC1RAB9A
SCHEMBL17923449 0.86 SMN1; SMN2 (0.36) POLBALDH1A1KDM4ENPC1SMN1; SMN2

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-2020038812-A1 NEW PROCESS FOR THE PREPARATION OF AMENAMEVIR RIJKSUNIVERSITEIT GRONINGEN (NL) 2020-02-27 — — WO disclosed
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