SCHEMBL9526209

SCHEMBL9526209

O=C(O)c1cn(C2CC2)c2nc3cc(N4CCNCC4)c(F)cc3cc2c1=O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.68
ALDH1A1 P00352 5/20 0.68
LMNA P02545 5/20 0.68
HPGD P15428 4/20 0.68
HSD17B10 Q99714 4/20 0.68
CYP2C9 P11712 2/20 0.68
CYP1A2 P05177 1/20 0.68
TOP2A P11388 1/20 0.68
TOP2B Q02880 1/20 0.68
MAPT P10636 1/20 0.50
BRD4 O60885 1/20 0.50
TSHR P16473 1/20 0.50
HTT P42858 1/20 0.50
CYP2J2 P51589 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
ATP6V1B2 P21281 1/20 0.48
TBXA2R P21731 1/20 0.48
EDNRA P25101 1/20 0.48
TARBP2 Q15633 1/20 0.48
DPP4 P27487 4/20 0.47

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
Water SCHEMBL9775975 0.99 KDM4E (0.67) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL8942154 0.92 KDM4E (0.58) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL9775862 0.89 ALDH1A1 (0.55) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL9775909 0.88 KCNH2 (0.56) KDM4EALDH1A1LMNAHPGDHSD17B10
Water SCHEMBL9775943 0.88 KCNH2 (0.56) KDM4EALDH1A1LMNAHPGDHSD17B10
Water SCHEMBL9775950 0.88 KCNH2 (0.56) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL9775867 0.86 KDM4E (0.69) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL8942340 0.86 DPP4 (0.54) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL9775941 0.85 KDM4E (0.56) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL9775945 0.85 ALDH1A1 (0.55) KDM4EALDH1A1LMNAHPGDHSD17B10

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
EP-0379412-B1 1,8-Benzonaphthyridine derivatives, their preparation and compositions containing them BELLON LABOR SA ROGER (FR) 1993-12-01 EP claimed
US-5004745-A Benzo[1,8]naphthyridine derivatives, their preparation and the compositions which contain them LABORATOIRE ROGER BELLON (FR) 1991-04-02 US claimed
US-5004745-A Benzo[1,8]naphthyridine derivatives, their preparation and the compositions which contain them LABORATOIRE ROGER BELLON (FR) 1991-04-02 US disclosed
US-4990515-A Chemical intermediates RHONE-POULENC SANTE (FR) 1991-02-05 US disclosed
US-4970213-A Benzo(1,8)naphthyridine derivatives as intermediates RHONE-POULENC SANTE (FR) 1990-11-13 US disclosed