SCHEMBL11034346

SCHEMBL11034346

CCSC1=C(C(=O)O)N2C(=O)C(NC(=O)C(=NO)c3csc(N)n3)[C@@H]2SC1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 6/20 0.70
▸ MAPT P10636 4/20 0.70
▸ ABCC4 O15439 3/20 0.70
▸ CNR1 P21554 1/20 0.70
▸ CTDSP1 Q9GZU7 1/20 0.70
▸ NR1I2 O75469 6/20 0.62
▸ HTR2C P28335 1/20 0.62
▸ PPARG P37231 2/20 0.59
▸ SLC22A6 Q4U2R8 2/20 0.59
▸ SLC22A8 Q8TCC7 2/20 0.59
▸ SLC22A11 Q9NSA0 2/20 0.59
▸ ALB P02768 1/20 0.59
▸ APEX1 P27695 3/20 0.58
▸ APAF1 O14727 2/20 0.58
▸ LMNA P02545 2/20 0.58
▸ L3MBTL1 Q9Y468 2/20 0.58
▸ TSHR P16473 1/20 0.58
▸ PLCG1 P19174 1/20 0.58
▸ ABCC2 Q92887 1/20 0.58
▸ SIRT5 Q9NXA8 1/20 0.58

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
SCHEMBL11034342 1.00 TDP1 (0.70) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL6888259 0.91 TDP1 (0.67) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL6888250 0.91 TDP1 (0.67) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL10345445 0.90 TDP1 (0.73) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL10345443 0.90 TDP1 (0.73) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL9368110 0.90 TDP1 (0.74) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL9364352 0.90 TDP1 (0.67) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL9364363 0.90 TDP1 (0.67) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL9368120 0.90 TDP1 (0.74) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL9228080 0.89 TDP1 (0.65) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-59065095-A — — None — — JP disclosed
JP-S5965095-A ANTIBACTERIAL COMPOUND AND ITS PREPARATION MEIJI SEIKA KAISHA LTD 1984-04-13 — — JP disclosed
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