SCHEMBL7851283

SCHEMBL7851283

O=C(O)c1cn(C2CC2)c2c(F)c(N3C[C@@H]4C[C@H](O)[C@@H]4C3)c(F)cc2c1=O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.57
KDM4E B2RXH2 2/20 0.57
HPGD P15428 2/20 0.57
HSD17B10 Q99714 2/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
TOP2A P11388 6/20 0.54
TOP2B Q02880 6/20 0.54
POLB P06746 2/20 0.54
OPRM1 P35372 2/20 0.54
CHRM2 P08172 1/20 0.54
CHRM1 P11229 1/20 0.54
OPRD1 P41143 1/20 0.54
KCNH2 Q12809 5/20 0.53
PRKD3 O94806 1/20 0.52
ALOX15 P16050 1/20 0.52
CLK2 P49760 1/20 0.52
CLK4 Q9HAZ1 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
LMNA P02545 1/20 0.48

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
SCHEMBL7852305 1.00 ALDH1A1 (0.57) ALDH1A1KDM4EHPGDHSD17B10MEN1
SCHEMBL7850168 1.00 ALDH1A1 (0.57) ALDH1A1KDM4EHPGDHSD17B10MEN1
SCHEMBL9779875 0.92 ALDH1A1 (0.57) ALDH1A1KDM4EHPGDHSD17B10MEN1
SCHEMBL9066962 0.90 ALDH1A1 (0.58) ALDH1A1KDM4EHPGDHSD17B10MEN1
SCHEMBL9067204 0.90 ALDH1A1 (0.58) ALDH1A1KDM4EHPGDHSD17B10MEN1
SCHEMBL9066955 0.90 ALDH1A1 (0.58) ALDH1A1KDM4EHPGDHSD17B10MEN1
SCHEMBL9066960 0.90 ALDH1A1 (0.58) ALDH1A1KDM4EHPGDHSD17B10MEN1
SCHEMBL9067208 0.90 ALDH1A1 (0.58) ALDH1A1KDM4EHPGDHSD17B10MEN1
SCHEMBL9067080 0.90 ALDH1A1 (0.58) ALDH1A1KDM4EHPGDHSD17B10MEN1
SCHEMBL7851285 0.88 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDHSD17B10MEN1

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-0677050-B1 NOVEL PYRIDONE CARBOXYLIC ACID DERIVATIVES CHEIL JEDANG CORP (KR) 2001-08-16 EP claimed
US-5527910-A BACTERICIDES; STAPHYLOCOCCUS, STREPTOCOCCUS INFECTIONS CHEIL FOODS & CHEMICALS, INC. (KR) 1996-06-18 US claimed