SCHEMBL31389259

SCHEMBL31389259

O=C(O)c1cc(OCc2ccc(-c3ccccc3)cc2)c2ccccc2n1

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.58
MCL1 Q07820 4/20 0.52
ADAM17 P78536 1/20 0.46
RXRA P19793 1/20 0.46
RXRB P28702 1/20 0.46
RXRG P48443 1/20 0.46
MAP4K4 O95819 1/20 0.45
XDH P47989 1/20 0.45
DHODH Q02127 1/20 0.45

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
SCHEMBL31389237 0.92 ALOX15 (0.64) ALOX15MCL1ADAM17
SCHEMBL2908552 0.92 ALOX15 (0.64) ALOX15MCL1ADAM17
Hydrochloric Acid SCHEMBL28687342 0.91 ALOX15 (0.62) ALOX15MCL1ADAM17
SCHEMBL31389294 0.88 ALOX15 (0.57) ALOX15MCL1ADAM17RXRARXRB
SCHEMBL31389261 0.88 ALOX15 (0.57) ALOX15ADAM17XDH
SCHEMBL31389239 0.88 ALOX15 (0.57) ALOX15
SCHEMBL31389256 0.88 ALOX15 (0.50) ALOX15ADAM17DHODH
SCHEMBL31389252 0.86 ALOX15 (0.65) ALOX15MCL1ADAM17RXRA
SCHEMBL31389232 0.85 ALOX15 (0.56) ALOX15ADAM17RXRARXRBRXRG
SCHEMBL31389308 0.84 NR1H4 (0.56) RXRARXRBRXRGMAP4K4

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