SCHEMBL9767986

SCHEMBL9767986

CC(=O)NC1CN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C1

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.69
ALDH1A1 P00352 4/20 0.69
LMNA P02545 3/20 0.66
HPGD P15428 2/20 0.66
HSD17B10 Q99714 2/20 0.66
CYP1A2 P05177 1/20 0.66
TOP2A P11388 1/20 0.66
CYP2C9 P11712 1/20 0.66
TOP2B Q02880 1/20 0.66
MAPT P10636 1/20 0.65
PIK3CG P48736 7/20 0.54
PIK3CD O00329 5/20 0.54
PIK3R1 P27986 5/20 0.54
PIK3CA P42336 5/20 0.54
HTT P42858 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
TOP1 P11387 1/20 0.50

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
SCHEMBL9666205 0.91 KDM4E (0.70) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL5566797 0.86 KDM4E (0.69) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL9748540 0.85 KDM4E (0.71) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL9184515 0.85 KDM4E (0.71) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL9365382 0.85 KDM4E (0.73) KDM4EALDH1A1LMNAHPGDHSD17B10
Hydrochloric Acid SCHEMBL10561159 0.85 KDM4E (0.70) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL9703656 0.85 KDM4E (0.70) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL9665892 0.84 ALDH1A1 (0.72) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL9184531 0.84 KDM4E (0.72) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL10814299 0.84 KDM4E (0.72) KDM4EALDH1A1LMNAHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1989003828-A1 AZETIDINYL QUINOLONE CARBOXYLIC ACIDS AND ESTERS PFIZER INC. (US) 1989-05-05 WO claimed
EP-0314362-A2 Azetidinyl quinolone carboxylic acids and esters PFIZER INC. (US) 1989-05-03 EP claimed
US-5039683-A Azetidinyl quinolone carboxylic acids and esters PFIZER INC. (US) 1991-08-13 US disclosed
WO-1989003828-A1 AZETIDINYL QUINOLONE CARBOXYLIC ACIDS AND ESTERS PFIZER INC. (US) 1989-05-05 WO disclosed
EP-0314362-A2 Azetidinyl quinolone carboxylic acids and esters PFIZER INC. (US) 1989-05-03 EP disclosed