SCHEMBL14959766

SCHEMBL14959766

Nc1nc(/C(=N\OC(c2ccccc2)(c2ccccc2)c2ccccc2)C(=O)N[C@@H]2C(=O)N3C(C(=O)O)=C(CO)CC[C@H]23)ns1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.37
▸ NR1I2 O75469 7/20 0.37
▸ HTR2C P28335 1/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ PPARG P37231 3/20 0.36
▸ SLC22A6 Q4U2R8 2/20 0.36
▸ SLC22A8 Q8TCC7 2/20 0.36
▸ SLC22A11 Q9NSA0 2/20 0.36
▸ ALB P02768 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ PGR P06401 5/20 0.35
▸ TDP1 Q9NUW8 4/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ TSHR P16473 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ ESR1 P03372 1/20 0.34
▸ APAF1 O14727 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ APEX1 P27695 1/20 0.33
▸ PLCG1 P19174 1/20 0.33

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
SCHEMBL12334095 1.00 KMT2A (0.37) KMT2ANR1I2HTR2CKCNH2PPARG
SCHEMBL12306318 1.00 KMT2A (0.37) KMT2ANR1I2HTR2CKCNH2PPARG
SCHEMBL14959764 0.90 KCNH2 (0.35) KMT2ANR1I2HTR2CKCNH2PPARG
SCHEMBL12306317 0.90 KCNH2 (0.35) KMT2ANR1I2HTR2CKCNH2PPARG
SCHEMBL12334100 0.90 KCNH2 (0.35) KMT2ANR1I2HTR2CKCNH2PPARG
SCHEMBL2456095 0.87 KCNH2 (0.34) KMT2ANR1I2HTR2CKCNH2PPARG
SCHEMBL2456093 0.87 KCNH2 (0.34) KMT2ANR1I2HTR2CKCNH2PPARG
SCHEMBL13104619 0.86 NR1I2 (0.47) KMT2ANR1I2HTR2CKCNH2PPARG
SCHEMBL13095112 0.86 NR1I2 (0.47) KMT2ANR1I2HTR2CKCNH2PPARG
SCHEMBL14959741 0.86 NR1I2 (0.47) KMT2ANR1I2HTR2CKCNH2PPARG

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
US-8445476-B2 Carbacephem β-lactam antibiotics ACHAOGEN, INC. (US) 2013-05-21 — — US disclosed
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