SCHEMBL9344503

SCHEMBL9344503

CCOC(=O)c1cn(CC)c2cc(N3CCNCC3)c(F)cc2c1=O

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.79
ALDH1A1 P00352 6/20 0.79
HSD17B10 Q99714 4/20 0.79
HPGD P15428 4/20 0.79
BRD4 O60885 1/20 0.78
LMNA P02545 1/20 0.78
TSHR P16473 1/20 0.78
HTT P42858 1/20 0.78
CYP2J2 P51589 1/20 0.78
NPSR1 Q6W5P4 1/20 0.78
DRD3 P35462 1/20 0.61
KMT2A Q03164 5/20 0.59
MEN1 O00255 4/20 0.59
GAA P10253 3/20 0.59
RAD52 P43351 1/20 0.58
NPC1 O15118 1/20 0.56
GLA P06280 1/20 0.54
PIK3CD O00329 1/20 0.54
PIK3R1 P27986 1/20 0.54
PIK3CA P42336 1/20 0.54

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
SCHEMBL13923331 0.91 KDM4E (0.79) KDM4EALDH1A1HSD17B10HPGDBRD4
SCHEMBL9634547 0.91 KDM4E (0.79) KDM4EALDH1A1HSD17B10HPGDBRD4
SCHEMBL32659736 0.90 KDM4E (0.81) KDM4EALDH1A1HSD17B10HPGDBRD4
SCHEMBL11967716 0.90 KDM4E (0.71) KDM4EALDH1A1HSD17B10HPGDBRD4
SCHEMBL9426943 0.90 KDM4E (0.71) KDM4EALDH1A1HSD17B10HPGDBRD4
SCHEMBL11067262 0.89 KDM4E (0.80) KDM4EALDH1A1HSD17B10HPGDLMNA
Hydrochloric Acid SCHEMBL6776533 0.89 KDM4E (0.70) KDM4EALDH1A1HSD17B10HPGDBRD4
SCHEMBL10028896 0.88 KDM4E (0.84) KDM4EALDH1A1HSD17B10HPGDBRD4
Norfloxacin SCHEMBL3473 0.88 ALDH1A1 (1.00) KDM4EALDH1A1HSD17B10HPGDBRD4
Norfloxacin SCHEMBL2221304 0.88 ALDH1A1 (1.00) KDM4EALDH1A1HSD17B10HPGDBRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7163923-B2 Bactericides, fungicides, viricides CELMED ONCOLOGY (USA), INC. (CA) 2007-01-16 US disclosed
EP-0351889-B1 Process for the preparation of a quinoline carboxylic acid CHINOIN GYOGYSZER ES VEGYESZET (HU) 1994-06-29 EP disclosed
US-5294712-A Process for the preparation of quinoline carboxylic acids CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA RT. (HU) 1994-03-15 US disclosed
US-5284950-A Process for the preparation of quinoline carboxyolic acids CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA RT. (HU) 1994-02-08 US disclosed
EP-0249620-B1 PROCESS FOR THE PREPARATION OF QUINOLINE CARBOXYLIC ACIDS CHINOIN Gyogyszer és Vegyészeti Termékek Gyára RT. (HU) 1992-11-19 EP disclosed
US-4981966-A Process for the preparation of quinoline carboxylic acids CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA RT. (HU) 1991-01-01 US disclosed
EP-0351889-A1 Process for the preparation of a quinoline carboxylic acid CHINOIN Gyogyszer és Vegyészeti Termékek Gyára RT. (HU) 1990-01-24 EP disclosed
EP-0249620-A1 PROCESS FOR THE PREPARATION OF QUINOLINE CARBOXYLIC ACIDS. CHINOIN GYOGYSZER ES VEGYESZET (HU) 1987-12-23 EP disclosed
WO-1987003587-A1 PROCESS FOR THE PREPARATION OF QUINOLINE CARBOXYLIC ACIDS Chinoin Gyógyszer és Vegyészeti Termékek Gyára Rt. (HU) 1987-06-18 WO disclosed
US-4472579-A REACTING A PIPERAZINE WITH A CHLORO QUINOLINECARBOXYLIC ACID ESTER, HYDROLYSIS KYORIN SEIYAKU KABUSHIKI KAISHA (JP) 1984-09-18 US disclosed
US-4448962-A BACTERICIDES KYORIN SEIYAKU KABUSHIKI KAISHA 1984-05-15 US disclosed