SCHEMBL9259220

SCHEMBL9259220

Cn1cc(C(N)=O)c(=O)c2nc3cc(F)c(F)cc3cc21

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 8/20 0.37
MAP2K2 P36507 7/20 0.37
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
CDC7 O00311 1/20 0.32
CAPN1 P07384 2/20 0.31
PCSK9 Q8NBP7 1/20 0.31
PARP2 Q9UGN5 1/20 0.31
PARP3 Q9Y6F1 1/20 0.31
PARP1 P09874 2/20 0.30

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
SCHEMBL9097578 0.80 MAP2K1 (0.37) MAP2K1MAP2K2KDM4EALDH1A1GLA
SCHEMBL8942453 0.73 EPHA2 (0.35) KDM4EALDH1A1HPGD
SCHEMBL9097147 0.73 ALDH1A1 (0.42) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL8942372 0.72 TOP2A (0.33) KDM4EALDH1A1HPGD
SCHEMBL6605949 0.68 LMNA (0.41) MAP2K1MAP2K2KDM4EALDH1A1HPGD
SCHEMBL9095560 0.66 GAA (0.45) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL10341248 0.66 KDM4E (0.50) MAP2K1MAP2K2KDM4EALDH1A1HPGD
SCHEMBL6050602 0.66 IDO1 (0.51) MAP2K1MAP2K2KDM4EALDH1A1CAPN1
SCHEMBL9096358 0.65 MAP2K2 (0.38) MAP2K1MAP2K2KDM4EALDH1A1GAA
SCHEMBL10341244 0.65 POLB (0.42) KDM4EALDH1A1GAAHPGD

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-5442070-A Derivatives of fluoro-quinoline carboxylic-3-acid and preparation therefor LABORATOIRE ROGER BELLON (FR) 1995-08-15 US disclosed