SCHEMBL18667397

SCHEMBL18667397

COC(=O)c1ccc(Sc2c(C(=O)OC)ccc(C)c2F)c([N+](=O)[O-])c1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.51
MAPT P10636 4/20 0.48
LMNA P02545 3/20 0.48
VCAM1 P19320 1/20 0.46
POLB P06746 1/20 0.46
ALDH1A1 P00352 5/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
PKM P14618 1/20 0.45
HTT P42858 1/20 0.43
PDGFRB P09619 1/20 0.42
FGFR1 P11362 1/20 0.42
PDGFRA P16234 1/20 0.42
FLT1 P17948 1/20 0.42
FGFR3 P22607 1/20 0.42
KDR P35968 1/20 0.42
TP53 P04637 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL17080118 0.84 MAPT (0.53) HPGDMAPTLMNAVCAM1POLB
SCHEMBL18381838 0.82 HPGD (0.58) HPGDMAPTLMNAVCAM1POLB
SCHEMBL17080233 0.82 HPGD (0.53) HPGDMAPTLMNAVCAM1POLB
SCHEMBL17080222 0.81 HPGD (0.54) HPGDMAPTLMNAVCAM1POLB
SCHEMBL17080227 0.81 HPGD (0.54) HPGDMAPTLMNAVCAM1POLB
SCHEMBL17080225 0.79 SLC6A2 (0.56) HPGDMAPTLMNAVCAM1POLB
SCHEMBL17085945 0.78 HPGD (0.54) HPGDMAPTLMNAVCAM1POLB
SCHEMBL30610315 0.78 MAPT (0.58) HPGDMAPTLMNAVCAM1POLB
SCHEMBL16430875 0.78 MAPT (0.58) HPGDMAPTLMNAVCAM1POLB
SCHEMBL17080117 0.77 HPGD (0.56) HPGDMAPTLMNAVCAM1POLB

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-2017048950-A1 HEPATITIS B CORE PROTEIN MODULATORS ASSEMBLY BIOSCIENCES, INC. (US) 2017-03-23 WO disclosed