SCHEMBL31409508

SCHEMBL31409508

O=C1c2ccc(O)cc2CN1Cc1ccncc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 7/20 0.50
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
ADAM17 P78536 2/20 0.43
CYP11B2 P19099 1/20 0.43
DHPS P49366 1/20 0.41
MAPK1 P28482 1/20 0.40
PRMT5 O14744 1/20 0.40
WDR77 Q9BQA1 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL5282876 0.86 HDAC1 (0.49) HDAC4HDAC1HDAC6ADAM17DHPS
SCHEMBL21768036 0.86 ERCC1 (0.47) HDAC1ADAM17PRMT5WDR77MEN1
SCHEMBL31409566 0.86 HDAC1 (0.49) HDAC4HDAC1HDAC6ADAM17DHPS
SCHEMBL31409506 0.84 DHPS (0.51) HDAC4HDAC1HDAC6CYP11B2DHPS
SCHEMBL31409533 0.83 ADAM17 (0.57) ADAM17MEN1KMT2A
SCHEMBL6765103 0.83 MEN1 (0.46) HDAC4HDAC1HDAC6DHPSMEN1
SCHEMBL31667471 0.81 DHPS (0.46) HDAC4HDAC1HDAC6DHPSMEN1
SCHEMBL31409517 0.80 ESR1 (0.48) ADAM17MEN1KMT2A
SCHEMBL9141408 0.80 ADAM17 (0.43) CYP19A1HDAC4HDAC1HDAC6ADAM17
SCHEMBL31667333 0.78 DHPS (0.46) HDAC4HDAC1HDAC6DHPSMAPK1

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-2025006553-A1 METABOTROPIC GLUTAMATE RECEPTOR POSITIVE ALLOSTERIC MODULATORS AND USES THEREOF Sanford Burnham Prebys Medical Discovery Institute (US) 2025-01-02 WO disclosed