SCHEMBL7841774

SCHEMBL7841774

C[C@H]1C=C[C@@H](N)[C@H]2CN(c3ncc4c(=O)c(OC(=O)O)cn(C5CC5)c4c3F)C[C@H]21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 6/20 0.33
TOP2B Q02880 6/20 0.33
DPP4 P27487 5/20 0.33
KCNH2 Q12809 4/20 0.33
POLB P06746 3/20 0.33
CACNA1F O60840 1/20 0.33
MAPK1 P28482 1/20 0.33
CACNA1D Q01668 1/20 0.33
CACNA1S Q13698 1/20 0.33
CACNA1C Q13936 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 2/20 0.32
OPRM1 P35372 2/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
OPRD1 P41143 1/20 0.32
KDM4E B2RXH2 1/20 0.32
PRKD3 O94806 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL7850907 0.90 ALDH1A1 (0.35) DPP4POLBALDH1A1OPRM1CHRM2
Bromide SCHEMBL7841713 0.89 ALDH1A1 (0.35) DPP4POLBALDH1A1OPRM1CHRM2
Hydrochloric Acid SCHEMBL7848827 0.89 ALDH1A1 (0.35) DPP4POLBALDH1A1OPRM1CHRM2
SCHEMBL7841767 0.89 TOP2A (0.44) TOP2ATOP2BDPP4KCNH2POLB
SCHEMBL7853924 0.86 TOP2A (0.32) TOP2ATOP2BDPP4POLBALDH1A1
SCHEMBL9416438 0.85 KCNH2 (0.38) TOP2ATOP2BDPP4KCNH2POLB
SCHEMBL8133386 0.85 ALDH1A1 (0.43) TOP2ATOP2BKCNH2POLBCACNA1F
Hydrochloric Acid SCHEMBL9416466 0.84 KCNH2 (0.38) TOP2ATOP2BDPP4KCNH2POLB
SCHEMBL7841772 0.83 EPHA2 (0.45) DPP4POLBKMT2AALDH1A1KDM4E
SCHEMBL7851048 0.82 PIK3CG (0.33) TOP2ATOP2BDPP4ALDH1A1KDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0726270-B1 Derivatives of 1,6-naphthyridone carboxylic acids BAYER AG (DE) 2001-05-23 EP disclosed
EP-0726270-A1 Derivatives of 1,6-naphthyridine carboxylic acids BAYER AG (DE) 1996-08-14 EP disclosed