SCHEMBL31409533

SCHEMBL31409533

O=C1c2ccc(O)cc2CN1Cc1ccc(F)cc1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 2/20 0.57
LIPG Q9Y5X9 1/20 0.43
ALDH1A1 P00352 2/20 0.43
POLB P06746 1/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NPC1 O15118 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42

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
SCHEMBL21768036 0.89 ERCC1 (0.47) ADAM17ALDH1A1MEN1KMT2AMAOA
SCHEMBL25309982 0.86 LMNA (0.52) ADAM17ALDH1A1POLBLMNAHTT
SCHEMBL29438666 0.86 LMNA (0.52) ADAM17ALDH1A1POLBLMNAHTT
SCHEMBL31409566 0.86 HDAC1 (0.49) ADAM17MEN1KMT2A
SCHEMBL5282876 0.86 HDAC1 (0.49) ADAM17MEN1KMT2A
SCHEMBL3853977 0.83 MAPK1 (0.44) ADAM17ALDH1A1POLBLMNAHTT
SCHEMBL31409508 0.83 CYP19A1 (0.50) ADAM17MEN1KMT2A
SCHEMBL31409517 0.83 ESR1 (0.48) ADAM17POLBMEN1KMT2A
SCHEMBL31667651 0.81 ESR1 (0.46) ADAM17MEN1KMT2A
SCHEMBL2024893 0.80 KMT2A (0.59) ADAM17ALDH1A1POLBLMNAHTT

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