SCHEMBL9856636

SCHEMBL9856636

O=C(OCc1ccc([N+](=O)[O-])cc1)C(O)CN1CCNCC1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 2/20 0.54
KCNH2 Q12809 2/20 0.54
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
ADRB1 P08588 1/20 0.44
SIRT6 Q8N6T7 1/20 0.44
DPP8 Q6V1X1 1/20 0.43
DPP9 Q86TI2 1/20 0.43
HTR2A P28223 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL9126753 0.81 KCNJ1 (0.58) KCNJ1KCNH2KDM4EALDH1A1MAPT
SCHEMBL3039451 0.79 KCNJ1 (0.53) KCNJ1KCNH2KDM4EALDH1A1MAPT
SCHEMBL8439851 0.79 KCNJ1 (0.61) KCNJ1KCNH2KDM4EALDH1A1MAPT
SCHEMBL9124661 0.78 KCNJ1 (0.53) KCNJ1KCNH2KDM4EALDH1A1MAPT
Hydrochloric Acid SCHEMBL8435792 0.78 KCNJ1 (0.60) KCNJ1KCNH2KDM4EALDH1A1MAPT
Hydrochloric Acid SCHEMBL5724126 0.78 KCNJ1 (0.52) KCNJ1KCNH2KDM4EALDH1A1MAPT
SCHEMBL11658704 0.76 IDO1 (0.51) ALDH1A1HTR2ARAB9A
SCHEMBL6943478 0.75 DPP8 (0.61) KCNJ1KCNH2KDM4EALDH1A1MAPT
SCHEMBL9661798 0.75 KCNJ1 (0.49) KCNJ1KCNH2KDM4EALDH1A1MAPT
SCHEMBL9782567 0.74 IDO1 (0.56) ALDH1A1MAPTHTR2ARAB9A

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-0443883-A1 Carbapenem derivatives having antibiotic activity, their preparation and their use Sankyo Company Limited (JP) 1991-08-28 EP disclosed