SCHEMBL9687524

SCHEMBL9687524

O=C(O)c1cn(C2CC2)c2nc(N3CCNCC3)c([N+](=O)[O-])cc2c1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.51
KDM4E B2RXH2 3/20 0.51
HSD17B10 Q99714 3/20 0.51
CYP2C9 P11712 2/20 0.51
ALDH1A1 P00352 2/20 0.51
HPGD P15428 2/20 0.51
CYP1A2 P05177 1/20 0.51
TOP2A P11388 1/20 0.51
TOP2B Q02880 1/20 0.51
ATP6V1B2 P21281 1/20 0.49
TBXA2R P21731 1/20 0.49
EDNRA P25101 1/20 0.49
TARBP2 Q15633 1/20 0.49
DPP4 P27487 6/20 0.46
CHRM2 P08172 1/20 0.42
DRD1 P21728 1/20 0.42
PIK3CD O00329 2/20 0.42
PIK3R1 P27986 2/20 0.42
PIK3CA P42336 2/20 0.42
PIK3CG P48736 2/20 0.42

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
SCHEMBL9686893 0.89 DPP4 (0.46) LMNAKDM4EHSD17B10ALDH1A1HPGD
SCHEMBL9687532 0.88 CYP2C9 (0.39) LMNAKDM4EHSD17B10CYP2C9ALDH1A1
SCHEMBL311935 0.84 LMNA (0.68) LMNAKDM4EHSD17B10CYP2C9ALDH1A1
SCHEMBL9686951 0.84 KDM4E (0.54) LMNAKDM4EHSD17B10CYP2C9ALDH1A1
SCHEMBL10552600 0.81 DPP4 (0.44) LMNAKDM4EHSD17B10ALDH1A1DPP4
SCHEMBL11020192 0.81 LMNA (0.64) LMNAKDM4EHSD17B10CYP2C9ALDH1A1
SCHEMBL10805995 0.80 ALDH1A1 (0.71) LMNAKDM4EHSD17B10CYP2C9ALDH1A1
SCHEMBL9686897 0.77 CSF1R (0.37) LMNAKDM4EHSD17B10DPP4CHRM2
SCHEMBL10501993 0.77 KDM4E (0.54) LMNAKDM4EHSD17B10CYP2C9ALDH1A1
SCHEMBL9474897 0.76 ALDH1A1 (0.48) LMNAKDM4EHSD17B10CYP2C9ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4840954-A BACTERICIDE BAYER AKTIENGESELLSCHAFT (DE) 1989-06-20 US claimed
EP-0187376-A2 6,7-Disubstituted 1-cyclopropyl-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylic acids BAYER AG (DE) 1986-07-16 EP claimed
EP-0187376-B1 6,7-DISUBSTITUTED 1-CYCLOPROPYL-1,4-DIHYDRO-4-OXO-1,8-NAPHTHYRIDINE-3-CARBOXYLIC ACIDS BAYER AG (DE) 1992-05-13 EP disclosed
US-4840954-A BACTERICIDE BAYER AKTIENGESELLSCHAFT (DE) 1989-06-20 US disclosed
EP-0187376-A2 6,7-Disubstituted 1-cyclopropyl-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylic acids BAYER AG (DE) 1986-07-16 EP disclosed