SCHEMBL11393196

SCHEMBL11393196

COC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)/C(=N/O)c3nsc(N)n3)[C@H]2SC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 5/20 0.51
▸ MAPT P10636 3/20 0.51
▸ ABCC4 O15439 2/20 0.51
▸ CNR1 P21554 1/20 0.51
▸ CTDSP1 Q9GZU7 1/20 0.51
▸ NR1I2 O75469 5/20 0.49
▸ HTR2C P28335 1/20 0.49
▸ PTGS1 P23219 1/20 0.47
▸ PPARG P37231 2/20 0.47
▸ SLC22A6 Q4U2R8 2/20 0.47
▸ SLC22A8 Q8TCC7 2/20 0.47
▸ SLC22A11 Q9NSA0 2/20 0.47
▸ ALB P02768 1/20 0.47
▸ KCNH2 Q12809 1/20 0.45
▸ APAF1 O14727 2/20 0.44
▸ APEX1 P27695 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ PLCG1 P19174 1/20 0.44
▸ ABCC2 Q92887 1/20 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
SCHEMBL11390428 0.92 NR1I2 (0.56) TDP1MAPTABCC4NR1I2HTR2C
SCHEMBL11084504 0.89 TDP1 (0.56) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL11084508 0.89 TDP1 (0.56) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL16976192 0.88 MAPT (0.53) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL11393208 0.88 TDP1 (0.43) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL2588286 0.86 TDP1 (0.61) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL12567053 0.86 TDP1 (0.61) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL2594857 0.86 TDP1 (0.61) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL11082764 0.85 KCNH2 (0.47) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL11082766 0.85 KCNH2 (0.47) TDP1MAPTABCC4CNR1CTDSP1

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
EP-0025017-A1 Polyazathia compounds, process for their preparation, pharmaceutical preparations containing such compounds and use of the latter CIBA-GEIGY AG (CH) 1981-03-11 — — EP disclosed
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