SCHEMBL9687532

SCHEMBL9687532

O=C(O)Oc1cn(C2CC2)c2nc(N3CCNCC3)c([N+](=O)[O-])cc2c1=O

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.39
LMNA P02545 2/20 0.39
ATP6V1B2 P21281 1/20 0.39
TBXA2R P21731 1/20 0.39
EDNRA P25101 1/20 0.39
TARBP2 Q15633 1/20 0.39
CYP1A2 P05177 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TOP2A P11388 1/20 0.38
HPGD P15428 1/20 0.38
TOP2B Q02880 1/20 0.38
HSD17B10 Q99714 1/20 0.38
DPP4 P27487 6/20 0.35
CHRM2 P08172 1/20 0.34
DRD1 P21728 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C19 P33261 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL9686897 0.89 CSF1R (0.37) LMNAKDM4EHSD17B10DPP4CHRM2
SCHEMBL9687524 0.88 LMNA (0.51) CYP2C9LMNAATP6V1B2TBXA2REDNRA
SCHEMBL9686958 0.85 LMNA (0.41) CYP2C9LMNAATP6V1B2TBXA2REDNRA
SCHEMBL9687448 0.85 LMNA (0.55) CYP2C9LMNAATP6V1B2TBXA2REDNRA
SCHEMBL10806005 0.81 ALDH1A1 (0.55) CYP2C9LMNACYP1A2KDM4EALDH1A1
SCHEMBL11445743 0.77 CASP1 (0.47) CYP2C9LMNACYP1A2KDM4EALDH1A1
SCHEMBL9686893 0.77 DPP4 (0.46) LMNAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL10377709 0.76 DPP4 (0.51) CYP2C9LMNAATP6V1B2TBXA2REDNRA
SCHEMBL10377270 0.75 DPP4 (0.50) CYP2C9LMNAATP6V1B2TBXA2REDNRA
SCHEMBL10377338 0.75 DPP4 (0.50) CYP2C9LMNAATP6V1B2TBXA2REDNRA

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-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
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