SCHEMBL11084873

SCHEMBL11084873

Nc1nc(/C(=N/OC2CCCC2)C(=O)NC2C(=O)N3C(C(=O)O)=C(O)CS[C@H]23)ns1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.45
▸ NR1I2 O75469 7/20 0.45
▸ HTR2C P28335 1/20 0.45
▸ TDP1 Q9NUW8 4/20 0.44
▸ APAF1 O14727 2/20 0.44
▸ TSHR P16473 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ APEX1 P27695 1/20 0.44
▸ PLCG1 P19174 1/20 0.44
▸ ABCC2 Q92887 1/20 0.44
▸ SIRT5 Q9NXA8 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ MAPT P10636 2/20 0.43
▸ ABCC4 O15439 2/20 0.43
▸ CNR1 P21554 1/20 0.43
▸ CTDSP1 Q9GZU7 1/20 0.43
▸ PPARG P37231 2/20 0.43
▸ SLC22A6 Q4U2R8 2/20 0.43
▸ SLC22A8 Q8TCC7 2/20 0.43
▸ SLC22A11 Q9NSA0 2/20 0.43

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
SCHEMBL11084874 1.00 KCNH2 (0.45) KCNH2NR1I2HTR2CTDP1APAF1
SCHEMBL10859980 0.91 NR1I2 (0.46) KCNH2NR1I2HTR2CTDP1APAF1
SCHEMBL10859989 0.91 NR1I2 (0.46) KCNH2NR1I2HTR2CTDP1APAF1
SCHEMBL10856147 0.87 TDP1 (0.55) KCNH2NR1I2HTR2CTDP1APAF1
SCHEMBL10856153 0.87 TDP1 (0.55) KCNH2NR1I2HTR2CTDP1APAF1
SCHEMBL11115828 0.86 NR1I2 (0.47) KCNH2NR1I2HTR2CTDP1APAF1
SCHEMBL11115825 0.86 NR1I2 (0.47) KCNH2NR1I2HTR2CTDP1APAF1
SCHEMBL10782218 0.86 MAPT (0.61) NR1I2HTR2CTDP1TSHRLMNA
SCHEMBL10781239 0.84 NR1I2 (0.54) KCNH2NR1I2HTR2CTDP1TSHR
SCHEMBL10849600 0.84 NR1I2 (0.57) KCNH2NR1I2HTR2CTDP1APAF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4468515-A CEPRALOSPORINS, MICROBIOCIDES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-08-28 — — US disclosed
US-4425340-A ANTIBIOTICS, BACTERICIDES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-01-10 — — US disclosed
US-4390534-A ANTIBIOTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-06-28 — — US disclosed
US-4331665-A ANTIBIOTICS, BACTERICIDES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1982-05-25 — — US disclosed
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