SCHEMBL2844562

SCHEMBL2844562

O=C(OCc1ccccc1)c1cn(C2CC2)c2c3c(c(F)cc2c1=O)N1CC(O)(COc2ccc(N4C[C@H](CNC(=O)C(F)(F)F)OC4=O)cc2F)CC1CO3

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2B Q02880 1/20 0.35
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
F10 P00742 6/20 0.32
MAOB P27338 1/20 0.31
STAT3 P40763 1/20 0.31
HDAC3 O15379 3/20 0.31
TUBB4A P04350 3/20 0.31
TUBB P07437 3/20 0.31
TUBA3C P0DPH7 3/20 0.31
HDAC4 P56524 3/20 0.31
TUBA1B P68363 3/20 0.31
TUBA4A P68366 3/20 0.31
TUBB4B P68371 3/20 0.31
TUBB3 Q13509 3/20 0.31
HDAC1 Q13547 3/20 0.31

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
SCHEMBL2841950 1.00 TOP2B (0.35) TOP2BKDM4EALDH1A1LMNAPOLB
SCHEMBL3063470 1.00 TOP2B (0.35) TOP2BKDM4EALDH1A1LMNAPOLB
SCHEMBL2837771 0.92 KCNH2 (0.36) KDM4EALDH1A1LMNAPOLBNPSR1
SCHEMBL2843715 0.92 KCNH2 (0.36) KDM4EALDH1A1LMNAPOLBNPSR1
SCHEMBL2531151 0.92 CALML3 (0.34) TOP2BKDM4EALDH1A1LMNAPOLB
SCHEMBL584990 0.92 CALML3 (0.34) TOP2BKDM4EALDH1A1LMNAPOLB
SCHEMBL2526650 0.89 STAT3 (0.33) KDM4EALDH1A1LMNAPOLBNPSR1
SCHEMBL3062421 0.87 HDAC3 (0.32) TOP2BKDM4EALDH1A1LMNAPOLB
SCHEMBL3062417 0.87 HDAC3 (0.32) TOP2BKDM4EALDH1A1LMNAPOLB
SCHEMBL2840110 0.87 HDAC3 (0.31) KDM4EALDH1A1LMNAPOLBNPSR1

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-2256120-A1 Oxazolidinone-quinolone hybrids as antibacterial compounds Actelion Pharmaceuticals Ltd. (CH) 2010-12-01 EP disclosed