SCHEMBL7841318

SCHEMBL7841318

O=C(O)c1cn(C2CC2)c2c(F)c(Cl)ncc2c1=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 9/20 0.55
TOP2B Q02880 9/20 0.55
POLB P06746 2/20 0.48
ALDH1A1 P00352 2/20 0.48
CHRM2 P08172 1/20 0.48
CHRM1 P11229 1/20 0.48
OPRM1 P35372 1/20 0.48
OPRD1 P41143 1/20 0.48
GSK3B P49841 4/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
PIK3CG P48736 1/20 0.44
CACNA1F O60840 1/20 0.43
MAPK1 P28482 1/20 0.43
CACNA1D Q01668 1/20 0.43
KCNH2 Q12809 1/20 0.43
CACNA1S Q13698 1/20 0.43
CACNA1C Q13936 1/20 0.43
KDM4E B2RXH2 2/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL7851034 0.88 ALDH1A1 (0.50) TOP2ATOP2BPOLBALDH1A1CHRM2
SCHEMBL7841319 0.85 TOP2A (0.41) TOP2ATOP2BPOLBALDH1A1CHRM2
SCHEMBL7843532 0.83 ADRB2 (0.54) TOP2ATOP2BPOLBKMT2AKDM4E
SCHEMBL12835806 0.82 TOP2A (0.49) TOP2ATOP2BPOLBALDH1A1CHRM2
SCHEMBL10915179 0.80 TOP2A (0.58) TOP2ATOP2BPOLBALDH1A1CHRM2
SCHEMBL6217925 0.80 TOP2A (0.61) TOP2ATOP2BPOLBALDH1A1CHRM2
SCHEMBL9149649 0.79 TOP2A (0.67) TOP2ATOP2BPOLBALDH1A1CHRM2
SCHEMBL7503528 0.77 ADRB2 (0.40) TOP2ATOP2BKCNH2
SCHEMBL7851454 0.77 POLB (0.60) TOP2ATOP2BPOLBALDH1A1CHRM2
SCHEMBL10631361 0.77 TOP2A (0.61) TOP2ATOP2BPOLBALDH1A1CHRM2

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 3 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
US-5811433-A ANTIMICROBIALS BAYER AKTIENGESELLSCHAFT (DE) 1998-09-22 US disclosed
EP-0726270-A1 Derivatives of 1,6-naphthyridine carboxylic acids BAYER AG (DE) 1996-08-14 EP disclosed