SCHEMBL7029929

SCHEMBL7029929

CCN1CCN(c2c(F)cc3c(=O)c(C(=O)OC)cn(C4CC4)c3c2[N+](=O)[O-])CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
KDM4E B2RXH2 5/20 0.50
HPGD P15428 3/20 0.50
LMNA P02545 3/20 0.50
HSD17B10 Q99714 2/20 0.50
MAPT P10636 1/20 0.50
KCNH2 Q12809 5/20 0.45
POLB P06746 3/20 0.44
OPRM1 P35372 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
PRKD3 O94806 1/20 0.44
ALOX15 P16050 1/20 0.44
CLK2 P49760 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
CHRM2 P08172 1/20 0.43
CHRM1 P11229 1/20 0.43
OPRD1 P41143 1/20 0.43
ADRB2 P07550 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL6710683 0.89 KDM4E (0.49) ALDH1A1KDM4EHPGDLMNAHSD17B10
SCHEMBL7030311 0.88 KDM4E (0.51) ALDH1A1KDM4EHPGDLMNAHSD17B10
SCHEMBL6710644 0.87 KDM4E (0.54) ALDH1A1KDM4EHPGDLMNAHSD17B10
SCHEMBL7026023 0.86 KDM4E (0.53) ALDH1A1KDM4EHPGDLMNAHSD17B10
SCHEMBL6706593 0.81 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDLMNAHSD17B10
SCHEMBL1416412 0.79 ADRB2 (0.49) ALDH1A1KDM4EHPGDLMNAHSD17B10
SCHEMBL27691603 0.78 ALDH1A1 (0.57) ALDH1A1KDM4EHPGDLMNAHSD17B10
SCHEMBL9636141 0.78 KDM4E (0.69) ALDH1A1KDM4EHPGDLMNAHSD17B10
SCHEMBL6708754 0.78 KDM4E (0.80) ALDH1A1KDM4EHPGDLMNAHSD17B10
SCHEMBL10569538 0.77 KCNH2 (0.69) ALDH1A1KDM4EHPGDLMNAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1282603-A2 AN IMPROVED PROCESS FOR THE PREPARATION OF QUINOLONE DERIVATIVES Natco Pharma Limited (IN) 2003-02-12 EP disclosed
WO-2001085692-A2 AN IMPROVED PROCESS FOR THE PREPARATION OF QUINOLONE DERIVATIVES NATCO PHARMA LIMITED (IN) 2001-11-15 WO disclosed