SCHEMBL9748774

SCHEMBL9748774

CNn1cc(C(=O)O)c(=O)c2cc(F)c(N3CC4CCC3CN4C)cc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.48
ALDH1A1 P00352 6/20 0.48
HPGD P15428 4/20 0.47
LMNA P02545 4/20 0.47
HSD17B10 Q99714 4/20 0.47
MAPT P10636 1/20 0.47
CYP1A2 P05177 1/20 0.47
TOP2A P11388 1/20 0.47
CYP2C9 P11712 1/20 0.47
TOP2B Q02880 1/20 0.47
DRD3 P35462 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NPC1 O15118 1/20 0.42
TOP1 P11387 1/20 0.42
HTT P42858 2/20 0.41
BRD4 O60885 1/20 0.41
TSHR P16473 1/20 0.41
CYP2J2 P51589 1/20 0.41
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
SCHEMBL9750333 0.93 KDM4E (0.44) KDM4EALDH1A1HPGDLMNAHSD17B10
SCHEMBL9670553 0.87 KDM4E (0.63) KDM4EALDH1A1HPGDLMNAHSD17B10
SCHEMBL9749427 0.85 ALDH1A1 (0.48) KDM4EALDH1A1HPGDLMNAHSD17B10
SCHEMBL9749610 0.84 DRD3 (0.63) KDM4EALDH1A1HPGDLMNAHSD17B10
SCHEMBL9866071 0.84 KDM4E (0.60) KDM4EALDH1A1HPGDLMNAHSD17B10
SCHEMBL9749228 0.84 ALDH1A1 (0.48) KDM4EALDH1A1HPGDLMNAHSD17B10
SCHEMBL9749120 0.83 ALDH1A1 (0.46) KDM4EALDH1A1HPGDLMNAHSD17B10
Danofloxacin SCHEMBL10073753 0.82 KDM4E (0.62) KDM4EALDH1A1HPGDLMNAHSD17B10
Danofloxacin SCHEMBL29658817 0.82 KDM4E (0.62) KDM4EALDH1A1HPGDLMNAHSD17B10
Danofloxacin SCHEMBL16518619 0.82 KDM4E (0.62) KDM4EALDH1A1HPGDLMNAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0215650-B1 SUBSTITUTED BRIDGED-DIAZABICYCLOALKYL QUINOLONE CARBOXYLIC ACIDS PFIZER INC. (US) 1992-01-29 EP disclosed