SCHEMBL31389237

SCHEMBL31389237

O=C(O)c1cc(OCc2ccccc2)c2ccccc2n1

nearest known ligand 0.72

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.64
MCL1 Q07820 2/20 0.50
MRGPRX4 Q96LA9 1/20 0.50
P4HTM Q9NXG6 1/20 0.49
PTGER1 P34995 3/20 0.48
STAT3 P40763 1/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ADAM17 P78536 1/20 0.47
ELANE P08246 1/20 0.47

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 1.00 ALOX15 (0.64) ALOX15MCL1MRGPRX4P4HTMPTGER1
Hydrochloric Acid SCHEMBL28687342 0.99 ALOX15 (0.62) ALOX15MCL1MRGPRX4P4HTMPTGER1
SCHEMBL31389259 0.92 ALOX15 (0.58) ALOX15MCL1ADAM17
SCHEMBL31389261 0.91 ALOX15 (0.57) ALOX15MRGPRX4PTGER1STAT3HTT
SCHEMBL31389239 0.91 ALOX15 (0.57) ALOX15MRGPRX4PTGER1HTTSMN1; SMN2
SCHEMBL31389294 0.91 ALOX15 (0.57) ALOX15MCL1PTGER1ADAM17
SCHEMBL27642217 0.89 ALOX15 (0.50) ALOX15STAT3HTTSMN1; SMN2
SCHEMBL31389252 0.88 ALOX15 (0.65) ALOX15MCL1PTGER1HTTSMN1; SMN2
SCHEMBL31389242 0.88 ALOX15 (0.54) ALOX15MCL1MRGPRX4PTGER1
SCHEMBL2906705 0.87 MAPT (0.49) ALOX15MRGPRX4STAT3HTTSMN1; SMN2

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