SCHEMBL31389294

SCHEMBL31389294

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

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.57
MCL1 Q07820 1/20 0.52
LMNA P02545 1/20 0.51
TP53 P04637 1/20 0.51
MAPT P10636 1/20 0.51
ADAM17 P78536 1/20 0.48
PTGER1 P34995 3/20 0.47
XDH P47989 1/20 0.47
CYP1A2 P05177 1/20 0.46
GRM2 Q14416 1/20 0.45
RXRA P19793 1/20 0.45
RXRB P28702 1/20 0.45
FOLH1 Q04609 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) ALOX15MCL1ADAM17PTGER1
SCHEMBL31389237 0.91 ALOX15 (0.64) ALOX15MCL1ADAM17PTGER1
SCHEMBL31389303 0.90 MCL1 (0.48) ALOX15MCL1LMNATP53MAPT
Hydrochloric Acid SCHEMBL28687342 0.89 ALOX15 (0.62) ALOX15MCL1ADAM17PTGER1
SCHEMBL31389259 0.88 ALOX15 (0.58) ALOX15MCL1ADAM17XDHRXRA
SCHEMBL31389289 0.88 MAPT (0.58) ALOX15LMNATP53MAPTADAM17
SCHEMBL31389242 0.88 ALOX15 (0.54) ALOX15MCL1PTGER1CYP1A2
SCHEMBL31389239 0.87 ALOX15 (0.57) ALOX15LMNAMAPTPTGER1
SCHEMBL31389261 0.87 ALOX15 (0.57) ALOX15LMNAMAPTADAM17PTGER1
SCHEMBL31389252 0.85 ALOX15 (0.65) ALOX15MCL1LMNAMAPTADAM17

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