SCHEMBL7853014

SCHEMBL7853014

CN[C@@H]1C=CC[C@@H]2CN(c3ncc4c(=O)c(C(=O)O)cn(-c5ccc(F)cc5F)c4c3F)C[C@@H]21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.50
ALDH1A1 P00352 3/20 0.50
LMNA P02545 3/20 0.50
POLB P06746 2/20 0.50
HPGD P15428 2/20 0.50
HSD17B10 Q99714 2/20 0.50
EPHA2 P29317 1/20 0.50
FLT4 P35916 1/20 0.50
GSK3B P49841 1/20 0.50
RARB P10826 1/20 0.50
TBXAS1 P24557 1/20 0.50
SLC6A3 Q01959 1/20 0.50
XBP1 P17861 1/20 0.50
NFKB1 P19838 1/20 0.50
HTT P42858 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
KMT2A Q03164 2/20 0.43
HSP90AA1 P07900 1/20 0.37
RXFP1 Q9HBX9 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
SCHEMBL7850569 0.93 LMNA (0.49) KDM4EALDH1A1LMNAPOLBHPGD
SCHEMBL7853018 0.92 KDM4E (0.42) KDM4EALDH1A1LMNAPOLBHPGD
SCHEMBL7854151 0.89 EPHA2 (0.55) KDM4EALDH1A1LMNAPOLBHPGD
Hydrochloric Acid SCHEMBL9136349 0.87 KDM4E (0.48) KDM4EALDH1A1LMNAPOLBHPGD
SCHEMBL7850573 0.85 KDM4E (0.41) KDM4EALDH1A1LMNAPOLBHPGD
Hydrochloric Acid SCHEMBL9135529 0.82 KDM4E (0.49) KDM4EALDH1A1LMNAPOLBHPGD
SCHEMBL7850849 0.82 EPHA2 (0.54) KDM4EALDH1A1LMNAPOLBHPGD
Hydrochloric Acid SCHEMBL9135332 0.82 CYP3A4 (0.47) KDM4EALDH1A1LMNAPOLBHPGD
SCHEMBL7848979 0.82 TOP2A (0.42) KDM4EALDH1A1LMNAPOLBHPGD
SCHEMBL7841764 0.82 KDM4E (0.38) KDM4EALDH1A1LMNAPOLBHPGD

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