SCHEMBL8888976

SCHEMBL8888976

NNc1c(F)c(N2CC[C@H](N)C2)c(F)c2c1c(=O)c(C(=O)O)cn2C1CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.58
ALDH1A1 P00352 1/20 0.58
CHRM2 P08172 1/20 0.58
CHRM1 P11229 1/20 0.58
OPRM1 P35372 1/20 0.58
OPRD1 P41143 1/20 0.58
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
KCNH2 Q12809 4/20 0.55
CACNA1F O60840 1/20 0.55
MAPK1 P28482 1/20 0.55
CACNA1D Q01668 1/20 0.55
CACNA1S Q13698 1/20 0.55
CACNA1C Q13936 1/20 0.55
GSK3B P49841 9/20 0.52
TOP2A P11388 2/20 0.46
TOP2B Q02880 2/20 0.46
RPS6KB1 P23443 1/20 0.46
MATK P42679 1/20 0.46
DYRK1A Q13627 1/20 0.46

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
SCHEMBL8888963 1.00 POLB (0.58) POLBALDH1A1CHRM2CHRM1OPRM1
Hydrochloric Acid SCHEMBL8888250 0.99 POLB (0.58) POLBALDH1A1CHRM2CHRM1OPRM1
Hydrochloric Acid SCHEMBL8799131 0.99 POLB (0.58) POLBALDH1A1CHRM2CHRM1OPRM1
SCHEMBL10509371 0.89 MEN1 (0.70) POLBALDH1A1CHRM2CHRM1OPRM1
SCHEMBL8110587 0.87 POLB (0.61) POLBALDH1A1CHRM2CHRM1OPRM1
SCHEMBL8922019 0.87 POLB (0.72) POLBALDH1A1CHRM2CHRM1OPRM1
SCHEMBL9088303 0.85 POLB (0.59) POLBALDH1A1CHRM2CHRM1OPRM1
Hydrochloric Acid SCHEMBL9368352 0.85 POLB (0.69) POLBALDH1A1CHRM2CHRM1OPRM1
SCHEMBL8888805 0.85 MEN1 (0.57) POLBALDH1A1OPRM1MEN1KMT2A
SCHEMBL9688692 0.85 POLB (0.65) POLBALDH1A1CHRM2CHRM1OPRM1

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
CN-1064357-C Novel antimicrobial 5-(N-heterosubstituted amino) quinolones PROCTER & GAMBLE (US) 2001-04-11 CN claimed
US-5646163-A FOR TREATING OR PREVENTING BACTERIAL INFECTIONS IN HUMANS OR ANIMALS THE PROCTER & GAMBLE COMPANY (US) 1997-07-08 US claimed
EP-0666853-A1 ANTIMICROBIAL 5-HYDRAZINO-QUINOLONE DERIVATIVES THE PROCTER & GAMBLE COMPANY (US) 1995-08-16 EP claimed
WO-1994010163-A1 ANTIMICROBIAL 5-HYDRAZINO-QUINOLONE DERIVATIVES THE PROCTER & GAMBLE COMPANY (US) 1994-05-11 WO claimed