SCHEMBL9749882

SCHEMBL9749882

CNn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(C)CC3CO)c(F)c21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.51
ALDH1A1 P00352 8/20 0.44
HPGD P15428 6/20 0.44
HSD17B10 Q99714 5/20 0.44
ALB P02768 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
ADRA2B P18089 1/20 0.44
MAPK1 P28482 1/20 0.44
POLB P06746 2/20 0.44
TUBB4A P04350 1/20 0.44
TUBB P07437 1/20 0.44
TUBA3C P0DPH7 1/20 0.44
TUBA1B P68363 1/20 0.44
TUBA4A P68366 1/20 0.44
TUBB4B P68371 1/20 0.44
TUBB3 Q13509 1/20 0.44
TUBB2A Q13885 1/20 0.44
TUBB8 Q3ZCM7 1/20 0.44
TUBA3E Q6PEY2 1/20 0.44
TUBA1A Q71U36 1/20 0.44

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
SCHEMBL9749893 0.88 KDM4E (0.40) KDM4EALDH1A1HPGDHSD17B10ALB
SCHEMBL10424662 0.88 KDM4E (0.45) KDM4EALDH1A1HPGDHSD17B10ALB
SCHEMBL9749859 0.88 KDM4E (0.45) KDM4EALDH1A1HPGDHSD17B10ALB
SCHEMBL10425073 0.86 KDM4E (0.70) KDM4EALDH1A1HPGDHSD17B10ALB
SCHEMBL9749343 0.86 KDM4E (0.61) KDM4EALDH1A1HPGDHSD17B10ALB
SCHEMBL9750386 0.85 KDM4E (0.45) KDM4EALDH1A1HPGDHSD17B10ALB
SCHEMBL9749353 0.85 KCNH2 (0.55) KDM4EALDH1A1HPGDHSD17B10ALB
SCHEMBL9749304 0.83 LMNA (0.53) KDM4EALDH1A1HPGDHSD17B10ALB
SCHEMBL31326057 0.82 KDM4E (0.70) KDM4EALDH1A1HPGDHSD17B10ALB
SCHEMBL2018897 0.82 KDM4E (0.70) KDM4EALDH1A1HPGDHSD17B10ALB

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
EP-0216345-B1 QUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1992-02-19 EP disclosed
US-4977265-A WITH BACTERICIDAL ACTIVITY HOFFMANN-LA ROCHE INC. (US) 1990-12-11 US disclosed
US-4946847-A BACTERICIDES HOFFMANN-LA ROCHE INC. (US) 1990-08-07 US disclosed
US-4806541-A ANTIBACTERIAL AGENTS HOFFMANN-LA ROCHE INC. (US) 1989-02-21 US disclosed