SCHEMBL9565709

SCHEMBL9565709

CN(C)CC=C(C(=O)O)C(=O)c1cc(F)c(N2CCN(C)CC2)c(F)c1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.44
ALDH1A1 P00352 5/20 0.35
HPGD P15428 4/20 0.35
HSD17B10 Q99714 3/20 0.35
ALB P02768 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
ADRA2B P18089 1/20 0.34
MAPK1 P28482 1/20 0.34
TUBB4A P04350 1/20 0.34
POLB P06746 1/20 0.34
TUBB P07437 1/20 0.34
TUBA3C P0DPH7 1/20 0.34
TUBA1B P68363 1/20 0.34
TUBA4A P68366 1/20 0.34
TUBB4B P68371 1/20 0.34
TUBB3 Q13509 1/20 0.34
TUBB2A Q13885 1/20 0.34
TUBB8 Q3ZCM7 1/20 0.34
TUBA3E Q6PEY2 1/20 0.34
TUBA1A Q71U36 1/20 0.34

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
SCHEMBL3611468 0.77 KDM4E (0.42) KDM4EALDH1A1HPGDHSD17B10ALB
SCHEMBL3611465 0.77 KDM4E (0.42) KDM4EALDH1A1HPGDHSD17B10ALB
SCHEMBL3609083 0.74 KDM4E (0.39) KDM4EALDH1A1HPGDHSD17B10ADRA2B
SCHEMBL3609081 0.74 KDM4E (0.39) KDM4EALDH1A1HPGDHSD17B10ADRA2B
SCHEMBL8136234 0.73 KDM4E (0.52) KDM4EALDH1A1HPGDHSD17B10ALB
SCHEMBL8120918 0.70 KDM4E (0.49) KDM4EALDH1A1HPGDHSD17B10ALB
SCHEMBL8154760 0.69 KDM4E (0.46) KDM4EALDH1A1HPGDHSD17B10ALB
SCHEMBL10862554 0.68 MEN1 (0.38) KDM4EALDH1A1MAPK1KMT2AMEN1
SCHEMBL13502976 0.68 MEN1 (0.39) KDM4EALDH1A1HPGDMAPK1POLB
SCHEMBL10862560 0.68 NPSR1 (0.45) KDM4EALDH1A1HPGDMAPK1POLB

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-0522277-A1 Process for the preparation of 9-fluoro-10-(4-methyl-1-piperazinyl)-7-oxo-2,3-dihydro-7H-pyrido[1,2,3-de][1,4]benzothiazine-6-carboxylic acid hydrochloride MEDIOLANUM FARMACEUTICI s.r.l. (IT) 1993-01-13 EP disclosed