SCHEMBL6169434

SCHEMBL6169434

COc1c(N2C[C@@H](N)[C@@H](C(C)C)[C@@H](C)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.69
KDM4E B2RXH2 9/20 0.66
ALDH1A1 P00352 5/20 0.66
HPGD P15428 4/20 0.66
POLB P06746 3/20 0.66
HSD17B10 Q99714 2/20 0.66
TDP1 Q9NUW8 2/20 0.66
OPRM1 P35372 2/20 0.66
PRKD3 O94806 1/20 0.66
ALOX15 P16050 1/20 0.66
CLK2 P49760 1/20 0.66
CLK4 Q9HAZ1 1/20 0.66
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
LMNA P02545 2/20 0.60
L3MBTL1 Q9Y468 1/20 0.59
CYP2C19 P33261 1/20 0.55
ATM Q13315 1/20 0.55
NPSR1 Q6W5P4 1/20 0.54
CHRM2 P08172 1/20 0.52

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
SCHEMBL8445130 0.92 KDM4E (0.71) KCNH2KDM4EALDH1A1HPGDPOLB
SCHEMBL9373526 0.92 KDM4E (0.71) KCNH2KDM4EALDH1A1HPGDPOLB
SCHEMBL8445136 0.92 KDM4E (0.71) KCNH2KDM4EALDH1A1HPGDPOLB
SCHEMBL8445131 0.92 KDM4E (0.71) KCNH2KDM4EALDH1A1HPGDPOLB
SCHEMBL9373510 0.92 KDM4E (0.71) KCNH2KDM4EALDH1A1HPGDPOLB
Hydrochloric Acid SCHEMBL9846615 0.91 KDM4E (0.70) KCNH2KDM4EALDH1A1HPGDPOLB
Hydrochloric Acid SCHEMBL9846600 0.91 KDM4E (0.70) KCNH2KDM4EALDH1A1HPGDPOLB
Hydrochloric Acid SCHEMBL9846575 0.91 KDM4E (0.70) KCNH2KDM4EALDH1A1HPGDPOLB
Hydrochloric Acid SCHEMBL9773763 0.91 KDM4E (0.70) KCNH2KDM4EALDH1A1HPGDPOLB
Hydrochloric Acid SCHEMBL9846579 0.91 KDM4E (0.70) KCNH2KDM4EALDH1A1HPGDPOLB

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-1532137-A2 ANTIMICROBIAL AZA-BICYCLIC DERIVATES, THEIR COMPOSITIONS AND USES THE PROCTER & GAMBLE COMPANY (US) 2005-05-25 EP claimed
WO-2004014893-A2 ANTIMICROBIAL AZA-BICYCLIC DERIVATES, THEIR COMPOSITIONS AND USES THE PROCTER & GAMBLE COMPANY (US) 2004-02-19 WO claimed