SCHEMBL9720468

SCHEMBL9720468

CCOC(=O)/C(=C/NC1CC1)C(=O)c1cc(F)c(Br)cc1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.36
MAPT P10636 5/20 0.35
NPSR1 Q6W5P4 4/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
LMNA P02545 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
S1PR4 O95977 1/20 0.35
S1PR1 P21453 1/20 0.35
MAPK1 P28482 1/20 0.35
DHODH Q02127 4/20 0.34
ALDH1A1 P00352 2/20 0.34
TSHR P16473 1/20 0.34
GAA P10253 5/20 0.33
TDP1 Q9NUW8 1/20 0.33
POLB P06746 1/20 0.33
ROCK2 O75116 1/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL9720446 1.00 KDM4E (0.36) KDM4EMAPTNPSR1MEN1KMT2A
SCHEMBL9720443 1.00 KDM4E (0.36) KDM4EMAPTNPSR1MEN1KMT2A
SCHEMBL7796110 0.91 MAPT (0.38) KDM4EMAPTNPSR1MEN1KMT2A
SCHEMBL9561752 0.91 MAPT (0.38) KDM4EMAPTNPSR1MEN1KMT2A
SCHEMBL10890329 0.91 MAPT (0.38) KDM4EMAPTNPSR1MEN1KMT2A
SCHEMBL10924490 0.88 MEN1 (0.38) KDM4EMAPTNPSR1MEN1KMT2A
SCHEMBL10351478 0.85 MAPT (0.34) KDM4EMAPTNPSR1MEN1KMT2A
SCHEMBL10351480 0.85 MAPT (0.34) KDM4EMAPTNPSR1MEN1KMT2A
SCHEMBL23515405 0.85 MAPT (0.42) KDM4EMAPTNPSR1MEN1KMT2A
SCHEMBL9149036 0.85 MAPT (0.44) KDM4EMAPTNPSR1MEN1KMT2A

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
US-5169853-A Antibacterial agents; administering to mammals for infection STERLING DRUG INC. (US) 1992-12-08 US disclosed
US-5075319-A Bactericides STERLING DRUG INC. (US) 1991-12-24 US disclosed
EP-0417669-A2 Pyridinyl-quinolone compounds, their preparation and use STERLING WINTHROP INC. (US) 1991-03-20 EP disclosed
EP-0309789-A1 4-Oxo-3-quinolinecarboxylic acids useful as antibacterial agents and preparation thereof STERLING WINTHROP INC. (US) 1989-04-05 EP disclosed