SCHEMBL10370808

SCHEMBL10370808

N#CC[C@@H]1C[C@H](OC(=O)c2ccccc2)CN1C(=O)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.46
MAPT P10636 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
TDP1 Q9NUW8 1/20 0.44
ATM Q13315 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
BCHE P06276 1/20 0.40
PTPN2 P17706 1/20 0.40
PTPN1 P18031 1/20 0.40
RAB9A P51151 2/20 0.39
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
NPC1 O15118 1/20 0.38
NT5E P21589 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL10369060 1.00 POLB (0.46) POLBMAPTCYP2C9CYP2C19TDP1
SCHEMBL10859825 1.00 POLB (0.46) POLBMAPTCYP2C9CYP2C19TDP1
SCHEMBL10863400 1.00 POLB (0.46) POLBMAPTCYP2C9CYP2C19TDP1
SCHEMBL10367964 0.89 POLB (0.48) POLBMAPTCYP2C9CYP2C19TDP1
SCHEMBL10860120 0.89 POLB (0.48) POLBMAPTCYP2C9CYP2C19TDP1
SCHEMBL10860763 0.88 POLB (0.48) POLBMAPTCYP2C9CYP2C19TDP1
SCHEMBL10368703 0.88 POLB (0.48) POLBMAPTCYP2C9CYP2C19TDP1
SCHEMBL10390516 0.86 POLB (0.46) POLBMAPTCYP2C9CYP2C19TDP1
SCHEMBL10862765 0.86 POLB (0.46) POLBMAPTCYP2C9CYP2C19TDP1
SCHEMBL10368538 0.85 HTT (0.45) POLBMAPTCYP2C9CYP2C19TDP1

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-0182213-B1 CARBAPENEM COMPOUNDS AND PRODUCTION THEREOF SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1990-09-26 EP disclosed