SCHEMBL7848979

SCHEMBL7848979

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 7/20 0.42
TOP2B Q02880 7/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 3/20 0.38
HPGD P15428 3/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 3/20 0.38
KCNH2 Q12809 3/20 0.38
CACNA1F O60840 1/20 0.38
MAPK1 P28482 1/20 0.38
CACNA1D Q01668 1/20 0.38
CACNA1S Q13698 1/20 0.38
CACNA1C Q13936 1/20 0.38
HSD17B10 Q99714 2/20 0.38
GSK3B P49841 1/20 0.37
OPRM1 P35372 2/20 0.37
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37

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
SCHEMBL7848981 0.90 TOP2A (0.33) TOP2ATOP2BMEN1KMT2AALDH1A1
SCHEMBL7851419 0.90 ALDH1A1 (0.41) TOP2ATOP2BMEN1KMT2AALDH1A1
SCHEMBL7853917 0.88 TOP2A (0.42) TOP2ATOP2BMEN1KMT2AALDH1A1
SCHEMBL9136070 0.85 ALDH1A1 (0.51) TOP2ATOP2BMEN1KMT2AALDH1A1
SCHEMBL7851236 0.82 KDM4E (0.40) TOP2ATOP2BMEN1KMT2AALDH1A1
SCHEMBL7853014 0.82 KDM4E (0.50) TOP2ATOP2BMEN1KMT2AALDH1A1
SCHEMBL9134891 0.82 DPP4 (0.57) TOP2ATOP2BKMT2AALDH1A1KDM4E
SCHEMBL8697881 0.81 CYP3A4 (0.35) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL7841699 0.81 CYP3A4 (0.35) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL9136774 0.81 MEN1 (0.63) TOP2ATOP2BMEN1KMT2AALDH1A1

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