SCHEMBL31389261

SCHEMBL31389261

O=C(O)c1cc(OCc2ccc(F)cc2)c2ccccc2n1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.57
MAPT P10636 3/20 0.51
LMNA P02545 2/20 0.51
POLB P06746 1/20 0.51
STAT3 P40763 1/20 0.51
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
PTGER1 P34995 3/20 0.51
L3MBTL1 Q9Y468 1/20 0.49
NR4A2 P43354 2/20 0.47
XDH P47989 1/20 0.47
ADAM17 P78536 1/20 0.45
MRGPRX4 Q96LA9 1/20 0.45
GRM2 Q14416 1/20 0.45
RAB9A P51151 1/20 0.44
KMT2A Q03164 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
SCHEMBL2908552 0.91 ALOX15 (0.64) ALOX15STAT3HTTSMN1; SMN2PTGER1
SCHEMBL31389237 0.91 ALOX15 (0.64) ALOX15STAT3HTTSMN1; SMN2PTGER1
SCHEMBL31389311 0.90 GRM2 (0.58) MAPTLMNAPOLBSTAT3HTT
Hydrochloric Acid SCHEMBL28687342 0.89 ALOX15 (0.62) ALOX15STAT3HTTSMN1; SMN2PTGER1
SCHEMBL31389259 0.88 ALOX15 (0.58) ALOX15XDHADAM17
SCHEMBL31389265 0.88 MAPT (0.50) ALOX15MAPTLMNAPOLBSTAT3
SCHEMBL31389294 0.87 ALOX15 (0.57) ALOX15MAPTLMNAPTGER1XDH
SCHEMBL31389239 0.87 ALOX15 (0.57) ALOX15MAPTLMNAHTTSMN1; SMN2
SCHEMBL31389252 0.85 ALOX15 (0.65) ALOX15MAPTLMNAPOLBHTT
SCHEMBL31389234 0.85 L3MBTL1 (0.56) MAPTLMNAPOLBL3MBTL1NR4A2

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
CN-119264047-A Quinoline derivative histone deacetylase inhibitor and preparation method and application thereof 山东大学 2025-01-07 CN disclosed