SCHEMBL14009606

SCHEMBL14009606

CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(OS(=O)(=O)C(F)(F)F)ccc3nc2-1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 18/20 0.74
▸ MEN1 O00255 5/20 0.74
▸ KMT2A Q03164 5/20 0.74
▸ SMN1; SMN2 Q16637 5/20 0.74
▸ KDM4E B2RXH2 4/20 0.74
▸ MAPT P10636 3/20 0.74
▸ CASP1 P29466 3/20 0.74
▸ CASP7 P55210 3/20 0.74
▸ HBB P68871 3/20 0.74
▸ USP2 O75604 2/20 0.74
▸ LMNA P02545 2/20 0.74
▸ BRCA1 P38398 2/20 0.74
▸ KEAP1 Q14145 2/20 0.74
▸ NFE2L2 Q16236 2/20 0.74
▸ HIF1A Q16665 2/20 0.74
▸ CYP3A4 P08684 2/20 0.74
▸ SLC22A2 O15244 1/20 0.74
▸ TOP2A P11388 1/20 0.74
▸ TOP2B Q02880 1/20 0.74
▸ SLC47A2 Q86VL8 1/20 0.74

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
SCHEMBL14024939 0.90 TOP1 (0.74) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL14024938 0.90 TOP1 (0.74) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL22893065 0.89 TOP1 (0.80) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL13524633 0.89 TOP1 (0.82) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL25130713 0.89 TOP1 (0.81) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL22085093 0.88 TOP1 (0.80) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL13529243 0.88 TOP1 (0.65) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL9081328 0.87 TOP1 (0.78) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL27326853 0.87 TOP1 (0.78) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL5999664 0.87 TOP1 (0.79) TOP1MEN1KMT2ASMN1; SMN2KDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7452901-B2 Anti-cancer phosphonate analogs GILEAD SCIENCES, INC. (US) 2008-11-18 — — US disclosed
US-7452901-B2 Anti-cancer phosphonate analogs GILEAD SCIENCES, INC. (US) 2008-11-18 — — US disclosed
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