SCHEMBL10354133

SCHEMBL10354133

Cc1ncsc1C=CC1=C(OC(=O)O)N2C(=O)C(NC(=O)C(=NOCC(=O)O)c3csc(N)n3)[C@@H]2SC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.64
▸ ALDH1A1 P00352 2/20 0.64
▸ USP2 O75604 1/20 0.64
▸ CYP3A4 P08684 1/20 0.64
▸ HPGD P15428 1/20 0.64
▸ FAP Q12884 1/20 0.64
▸ TDP1 Q9NUW8 7/20 0.63
▸ APEX1 P27695 3/20 0.63
▸ APAF1 O14727 2/20 0.63
▸ LMNA P02545 2/20 0.63
▸ L3MBTL1 Q9Y468 2/20 0.63
▸ TSHR P16473 1/20 0.63
▸ PLCG1 P19174 1/20 0.63
▸ ABCC2 Q92887 1/20 0.63
▸ SIRT5 Q9NXA8 1/20 0.63
▸ PSMD14 O00487 1/20 0.62
▸ MMP2 P08253 1/20 0.62
▸ NR1I2 O75469 5/20 0.50
▸ HTR2C P28335 1/20 0.50
▸ PGR P06401 2/20 0.49

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
SCHEMBL10354299 0.93 MAPT (0.71) MAPTALDH1A1USP2CYP3A4HPGD
SCHEMBL10354055 0.91 MAPT (0.62) MAPTALDH1A1USP2CYP3A4HPGD
SCHEMBL7763045 0.91 MAPT (0.62) MAPTALDH1A1USP2CYP3A4HPGD
SCHEMBL10354132 0.91 TDP1 (0.75) MAPTALDH1A1USP2CYP3A4HPGD
SCHEMBL10354518 0.91 TDP1 (0.75) MAPTALDH1A1USP2CYP3A4HPGD
Trifluoroacetic Acid SCHEMBL10354118 0.87 TDP1 (0.69) MAPTALDH1A1USP2CYP3A4HPGD
Trifluoroacetic Acid SCHEMBL10354117 0.87 TDP1 (0.69) MAPTALDH1A1USP2CYP3A4HPGD
SCHEMBL10808207 0.86 TDP1 (0.81) MAPTALDH1A1CYP3A4TDP1APEX1
SCHEMBL10362093 0.86 TDP1 (0.69) MAPTALDH1A1USP2CYP3A4HPGD
SCHEMBL9367431 0.85 MAPT (0.70) MAPTALDH1A1USP2CYP3A4HPGD

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-0175610-B1 NEW CEPHALOSPORIN COMPOUNDS AND THE PRODUCTION THEREOF MEIJI SEIKA KAISHA LTD. (JP) 1990-08-29 — — EP claimed
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