SCHEMBL9012935

SCHEMBL9012935

Nc1nc(C(=NOCC(=O)O)C(=O)N[C@@H]2C(=O)N3C(C(=O)OC(c4ccccc4)c4ccccc4)=C(CCl)CS[C@@H]23)ns1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.48
▸ TDP1 Q9NUW8 5/20 0.47
▸ APAF1 O14727 2/20 0.47
▸ TSHR P16473 2/20 0.47
▸ LMNA P02545 2/20 0.47
▸ APEX1 P27695 1/20 0.47
▸ PLCG1 P19174 1/20 0.47
▸ ABCC2 Q92887 1/20 0.47
▸ SIRT5 Q9NXA8 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ PSMD14 O00487 1/20 0.46
▸ MMP2 P08253 1/20 0.46
▸ PTGS1 P23219 2/20 0.43
▸ ABCB11 O95342 1/20 0.43
▸ PDE4D Q08499 1/20 0.43
▸ NR1I2 O75469 5/20 0.42
▸ HTR2C P28335 1/20 0.42
▸ ABCC4 O15439 1/20 0.41
▸ PDE4A P27815 1/20 0.41
▸ MAPT P10636 4/20 0.40

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
SCHEMBL9012930 1.00 KCNH2 (0.48) KCNH2TDP1APAF1TSHRLMNA
SCHEMBL10504227 0.94 KCNH2 (0.55) KCNH2TDP1APAF1TSHRLMNA
SCHEMBL10532770 0.94 KCNH2 (0.55) KCNH2TDP1APAF1TSHRLMNA
SCHEMBL10504223 0.94 KCNH2 (0.55) KCNH2TDP1APAF1TSHRLMNA
SCHEMBL9624032 0.93 KCNH2 (0.48) KCNH2TDP1APAF1TSHRLMNA
SCHEMBL9624027 0.93 KCNH2 (0.48) KCNH2TDP1APAF1TSHRLMNA
SCHEMBL9013169 0.93 ABCB11 (0.51) KCNH2TDP1TSHRLMNAAPEX1
SCHEMBL9511476 0.93 ABCB11 (0.51) KCNH2TDP1TSHRLMNAAPEX1
SCHEMBL9013166 0.93 ABCB11 (0.51) KCNH2TDP1TSHRLMNAAPEX1
SCHEMBL9511482 0.93 ABCB11 (0.51) KCNH2TDP1TSHRLMNAAPEX1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0345671-B1 Cephem compounds and processes for preparation thereof FUJISAWA PHARMACEUTICAL CO (JP) 1996-08-21 — — EP disclosed
US-5532354-A ANTIBIOTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-07-02 — — US disclosed
US-5401734-A MICROBIOCIDES FUJISAWA PHAMACEUTICAL CO., LTD. (JP) 1995-03-28 — — US disclosed
US-5244890-A Treatment of infectious diseases FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-09-14 — — US disclosed
EP-0345671-A2 Cephem compounds and processes for preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-12-13 — — EP disclosed
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