SCHEMBL8770998

SCHEMBL8770998

Nc1nc(CC(=O)N[C@@H]2C(=O)N3C(C(=O)O)=C(Sc4nncs4)CS[C@@H]23)cs1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 6/20 0.55
▸ LMNA P02545 3/20 0.55
▸ HSD17B10 Q99714 1/20 0.55
▸ L3MBTL1 Q9Y468 2/20 0.54
▸ MAPT P10636 3/20 0.46
▸ ABCC4 O15439 1/20 0.46
▸ CNR1 P21554 1/20 0.46
▸ CTDSP1 Q9GZU7 1/20 0.46
▸ NR1I2 O75469 4/20 0.45
▸ HTR2C P28335 1/20 0.45
▸ APAF1 O14727 2/20 0.44
▸ TSHR P16473 1/20 0.44
▸ APEX1 P27695 1/20 0.44
▸ PLCG1 P19174 1/20 0.44
▸ ABCC2 Q92887 1/20 0.44
▸ SIRT5 Q9NXA8 1/20 0.44
▸ SLC22A6 Q4U2R8 3/20 0.44
▸ SLC22A8 Q8TCC7 3/20 0.44
▸ SLC22A11 Q9NSA0 3/20 0.44
▸ PPARG P37231 2/20 0.44

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
SCHEMBL8770984 1.00 TDP1 (0.55) TDP1LMNAHSD17B10L3MBTL1MAPT
SCHEMBL8771048 0.92 TDP1 (0.48) TDP1LMNAHSD17B10L3MBTL1MAPT
SCHEMBL6542273 0.89 TDP1 (0.55) TDP1LMNAHSD17B10L3MBTL1MAPT
SCHEMBL10735409 0.89 LMNA (0.67) TDP1LMNAHSD17B10L3MBTL1MAPT
SCHEMBL10735401 0.89 LMNA (0.67) TDP1LMNAHSD17B10L3MBTL1MAPT
SCHEMBL11268629 0.88 LMNA (0.66) TDP1LMNAHSD17B10L3MBTL1MAPT
SCHEMBL8771238 0.87 TDP1 (0.55) TDP1LMNAHSD17B10L3MBTL1MAPT
SCHEMBL8771242 0.87 TDP1 (0.55) TDP1LMNAHSD17B10L3MBTL1MAPT
SCHEMBL8771053 0.87 TDP1 (0.45) TDP1LMNAHSD17B10L3MBTL1MAPT
SCHEMBL8771017 0.87 TDP1 (0.53) TDP1LMNAHSD17B10L3MBTL1MAPT

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
EP-0796263-A1 CEPHEM COMPOUNDS AND PHARMACEUTICAL USE THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-09-24 — — EP disclosed
WO-1996017850-A1 CEPHEM COMPOUNDS AND PHARMACEUTICAL USE THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-06-13 — — WO disclosed
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