SCHEMBL23655375

SCHEMBL23655375

COc1ccc(N2CCN(c3ccc(CNC=O)cc3)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.56
L3MBTL1 Q9Y468 2/20 0.52
MAPT P10636 3/20 0.51
GAA P10253 1/20 0.51
GFER P55789 2/20 0.50
NPC1 O15118 1/20 0.50
DRD2 P14416 1/20 0.50
LMNA P02545 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49
POLB P06746 1/20 0.48
REV1 Q9UBZ9 1/20 0.48

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
SCHEMBL23655341 0.87 THRB (0.47) RAB9AL3MBTL1MAPTGAAGFER
SCHEMBL1987106 0.86 ALDH1A1 (0.55) RAB9A
SCHEMBL23655561 0.83 THRB (0.49) RAB9AMAPTGFERDRD2LMNA
SCHEMBL23655331 0.83 MAPT (0.53) RAB9AL3MBTL1MAPTGAAGFER
SCHEMBL23655342 0.81 ADH1B (0.61) L3MBTL1MAPTGAAGFERDRD2
SCHEMBL23655583 0.80 ADH1B (0.46) RAB9AL3MBTL1MAPTGAAGFER
SCHEMBL23655787 0.80 L3MBTL1 (0.53) L3MBTL1MAPTGAAGFERSMN1; SMN2
SCHEMBL3305094 0.80 ALDH1A1 (0.53) RAB9AL3MBTL1MAPTGAAGFER
SCHEMBL23655611 0.79 NCF1 (0.51) RAB9AL3MBTL1MAPTGAAGFER
SCHEMBL3304463 0.78 L3MBTL1 (0.54) RAB9AL3MBTL1MAPTGAANPC1

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
EP-3027615-B1 ANTI-INFECTIVE COMPOUNDS PASTEUR INSTITUT KOREA (KR) 2021-07-21 EP disclosed