SCHEMBL9047553

SCHEMBL9047553

CC1CN(c2ccc(-n3cc(C(=O)O)c(=O)c4cc(F)c(N5CCNC(C)C5)c(F)c43)c(F)c2)CCN1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.66
ALDH1A1 P00352 6/20 0.66
HPGD P15428 5/20 0.66
HSD17B10 Q99714 5/20 0.66
PMP22 Q01453 1/20 0.65
POLB P06746 2/20 0.57
KCNH2 Q12809 2/20 0.57
PRKD3 O94806 1/20 0.57
ALOX15 P16050 1/20 0.57
OPRM1 P35372 1/20 0.57
CLK2 P49760 1/20 0.57
CLK4 Q9HAZ1 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
HSP90AA1 P07900 1/20 0.55
RXFP1 Q9HBX9 1/20 0.55
TOP2A P11388 10/20 0.48
TOP1 P11387 3/20 0.48
TOP2B Q02880 7/20 0.47
LMNA P02545 1/20 0.47
HRH3 Q9Y5N1 1/20 0.45

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
SCHEMBL9869967 0.92 KDM4E (0.67) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL9047556 0.90 KDM4E (0.55) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL9870932 0.88 KDM4E (0.69) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL9870331 0.87 KDM4E (0.70) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL9046097 0.86 ALDH1A1 (0.60) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL9663004 0.84 KDM4E (0.61) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL9661748 0.83 KDM4E (0.58) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL9661303 0.82 KDM4E (0.57) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL9662033 0.82 KDM4E (0.57) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL10653699 0.82 KDM4E (0.77) KDM4EALDH1A1HPGDHSD17B10PMP22

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0422485-B1 Quinolone carboxylic acid derivatives, process for their preparation and their use BAYER AG (DE) 1996-04-03 EP disclosed
US-5300643-A Viricides BAYER AKTIENGESELLSCHAFT (DE) 1994-04-05 US disclosed
US-5217972-A QUINOLONECARBOXYLIC ACID DERIVATIVES AND THEIR USE AS ANTIVIRAL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1993-06-08 US disclosed
EP-0422485-A2 Quinolone carboxylic acid derivatives, process for their preparation and their use BAYER AG (DE) 1991-04-17 EP disclosed