SCHEMBL29954485

SCHEMBL29954485

Nc1nc2cc(B(O)O)ccc2o1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.58
LMNA P02545 1/20 0.58
CYP1A2 P05177 1/20 0.58
THRB P10828 1/20 0.58
ALOX15 P16050 1/20 0.58
MAPK1 P28482 1/20 0.58
ENPP2 Q13822 2/20 0.47
PIK3CG P48736 2/20 0.44
PIK3CA P42336 6/20 0.40
PIK3CB P42338 2/20 0.40
PIK3CD O00329 1/20 0.40
MTOR P42345 5/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
GFER P55789 2/20 0.39
RXFP1 Q9HBX9 1/20 0.39
KDM4E B2RXH2 2/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL7891196 1.00 MAPT (0.58) MAPTLMNACYP1A2THRBALOX15
Hydrochloric Acid SCHEMBL22494312 0.98 LMNA (0.56) MAPTLMNACYP1A2THRBALOX15
Hydrochloric Acid SCHEMBL28510580 0.98 LMNA (0.56) MAPTLMNACYP1A2THRBALOX15
SCHEMBL31394658 0.87 PIK3CG (0.56) MAPTLMNACYP1A2THRBALOX15
SCHEMBL7893637 0.87 PIK3CG (0.56) MAPTLMNACYP1A2THRBALOX15
SCHEMBL18727431 0.82 LMNA (0.50) MAPTLMNACYP1A2THRBALOX15
SCHEMBL15445621 0.78 L3MBTL1 (0.53) MAPTLMNAMAPK1ENPP2NPC1
SCHEMBL29952498 0.78 L3MBTL1 (0.53) MAPTLMNAMAPK1ENPP2NPC1
SCHEMBL4473998 0.77 LMNA (0.61) MAPTLMNACYP1A2THRBALOX15
SCHEMBL12850681 0.76 LMNA (0.66) MAPTLMNACYP1A2THRBALOX15

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4396188-A1 NOVEL MTOR INHIBITOR COMPOUNDS Galderma Holding SA (CH) 2024-07-10 EP disclosed
WO-2023031738-A1 NOVEL MTOR INHIBITOR COMPOUNDS Galderma Holding SA (CH) 2023-03-09 WO disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed