SCHEMBL10528853

SCHEMBL10528853

CCON=C(C(=O)NC1C(=O)N2C=C(C=Cc3ccccn3)CS[C@@H]12)c1nsc(N)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.48
▸ TDP1 Q9NUW8 9/20 0.36
▸ APEX1 P27695 3/20 0.36
▸ APAF1 O14727 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ TSHR P16473 2/20 0.36
▸ PLCG1 P19174 1/20 0.36
▸ ABCC2 Q92887 1/20 0.36
▸ SIRT5 Q9NXA8 1/20 0.36
▸ PSMD14 O00487 1/20 0.36
▸ MMP2 P08253 1/20 0.36
▸ NR1I2 O75469 4/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ KMT2A Q03164 1/20 0.32
▸ PPARG P37231 2/20 0.32
▸ PGR P06401 2/20 0.32
▸ ESR1 P03372 1/20 0.32
▸ MAPT P10636 5/20 0.32
▸ ALB P02768 1/20 0.32

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
SCHEMBL10369335 0.90 KCNH2 (0.47) KCNH2TDP1APEX1APAF1LMNA
SCHEMBL10530907 0.89 KCNH2 (0.48) KCNH2TDP1APEX1APAF1LMNA
SCHEMBL10530886 0.88 KCNH2 (0.47) KCNH2TDP1APEX1APAF1LMNA
SCHEMBL10530869 0.85 KCNH2 (0.49) KCNH2TDP1APEX1APAF1LMNA
SCHEMBL10528793 0.85 KCNH2 (0.49) KCNH2TDP1APEX1APAF1LMNA
SCHEMBL10796352 0.84 KCNH2 (0.54) KCNH2TDP1APEX1APAF1LMNA
SCHEMBL10796339 0.84 KCNH2 (0.54) KCNH2TDP1APEX1APAF1LMNA
SCHEMBL10529635 0.81 KCNH2 (0.41) KCNH2TDP1APEX1APAF1LMNA
SCHEMBL10838332 0.81 KCNH2 (0.52) KCNH2TDP1APEX1APAF1LMNA
SCHEMBL10529997 0.80 KCNH2 (0.48) KCNH2TDP1APEX1APAF1LMNA

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-0103264-B1 NEW CEPHEM COMPOUNDS AND PROCESSES FOR PREPARATION THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-12-20 — — EP disclosed
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