SCHEMBL7490792

SCHEMBL7490792

COC(=O)C(CP(=O)(O)O)NC(=O)c1ccc2nc(C(C)c3nc4ccccc4[nH]3)n(C)c2c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ PIN1 Q13526 3/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ TAS1R3 Q7RTX0 5/20 0.40
▸ TAS1R1 Q7RTX1 5/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ FPR1 P21462 2/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ AURKA O14965 1/20 0.37

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
SCHEMBL7479564 0.93 L3MBTL1 (0.46) L3MBTL1PIN1ALDH1A1SMN1; SMN2TAS1R3
SCHEMBL7489855 0.92 PIN1 (0.46) L3MBTL1PIN1ALDH1A1KDM4ELMNA
Hydrochloric Acid SCHEMBL7478353 0.91 PIN1 (0.45) L3MBTL1PIN1ALDH1A1KDM4ELMNA
SCHEMBL7485673 0.84 L3MBTL1 (0.44) L3MBTL1PIN1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL7490827 0.82 ACSS2 (0.42) L3MBTL1ALDH1A1KDM4ELMNATSHR
SCHEMBL7421962 0.82 PIN1 (0.35) L3MBTL1PIN1ALDH1A1
SCHEMBL7478946 0.82 ACSS2 (0.39) L3MBTL1PIN1ALDH1A1AURKA
SCHEMBL7485199 0.82 PIN1 (0.46) L3MBTL1PIN1ALDH1A1KDM4ELMNA
SCHEMBL7485173 0.82 PIN1 (0.46) L3MBTL1PIN1ALDH1A1KDM4ELMNA
SCHEMBL7482513 0.82 PIN1 (0.41) L3MBTL1PIN1TDP1MEN1KMT2A

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-2000020400-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR TREATING HEPATITIS C INFECTIONS AXYS PHARMACEUTICALS, INC. (US) 2000-04-13 — — WO disclosed
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