SCHEMBL17775397

SCHEMBL17775397

O=C1CCN(c2cc3c(cc2F)C(=O)C(C(=O)O)CN3C2CC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 2/20 0.42
ALDH1A1 P00352 4/20 0.35
KMT2A Q03164 1/20 0.35
KDM4E B2RXH2 3/20 0.34
LMNA P02545 2/20 0.34
HPGD P15428 2/20 0.34
HSD17B10 Q99714 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
TOP2B Q02880 1/20 0.34
MAPT P10636 1/20 0.33
FFAR4 Q5NUL3 4/20 0.33
CRBN Q96SW2 1/20 0.31
NOTUM Q6P988 1/20 0.31
PIK3CD O00329 1/20 0.31
PIK3R1 P27986 1/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CG P48736 1/20 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
SCHEMBL16329562 0.88 TOP2A (0.55) TOP2AALDH1A1KDM4ELMNAHPGD
SCHEMBL22015414 0.86 TOP2A (0.44) TOP2AALDH1A1KMT2AKDM4ELMNA
SCHEMBL21894264 0.85 TOP2A (0.42) TOP2AALDH1A1KMT2AKDM4ELMNA
SCHEMBL8775559 0.84 TOP2A (0.35) TOP2ANOTUM
SCHEMBL12737551 0.81 TOP2A (0.40) TOP2AALDH1A1KMT2AKDM4ELMNA
SCHEMBL5570112 0.80 PDE4A (0.35) TOP2AFFAR4NOTUM
SCHEMBL22015244 0.70 MAPT (0.35) TOP2AALDH1A1KDM4ELMNAHPGD
SCHEMBL19073274 0.70 TOP2A (0.38) TOP2AALDH1A1KDM4ELMNAHPGD
SCHEMBL13944015 0.70 TOP2A (0.38) TOP2AALDH1A1KDM4ELMNAHPGD
SCHEMBL12737553 0.69 TOP2A (0.47) TOP2AALDH1A1KDM4ELMNAHPGD

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
WO-2016079757-A2 NOVEL PROCESSES FOR PREPARING 5-HYDROXYMETHYL-OXAZOLIDIN-2-ONE DERIVATIVES SYMED LABS LIMITED (IN) 2016-05-26 WO disclosed