SCHEMBL29951236

SCHEMBL29951236

OB(O)c1ccc(-c2ccccc2)nc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
RAB9A P51151 1/20 0.43
ALDH1A1 P00352 3/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
HPGD P15428 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LMNA P02545 1/20 0.41
KDM4E B2RXH2 4/20 0.40
MAPT P10636 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAP2K3 P46734 1/20 0.38
TDO2 P48775 1/20 0.37
ASIC3 Q9UHC3 1/20 0.37
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
LDHA P00338 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
MGLL Q99685 1/20 0.36

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
SCHEMBL29953398 0.78 MEN1 (0.43) MEN1KMT2ARAB9AALDH1A1L3MBTL1
SCHEMBL29954734 0.75 SQOR (0.50) MEN1KMT2ARAB9AALDH1A1L3MBTL1
SCHEMBL2300923 0.75 L3MBTL1 (0.53) MEN1KMT2ARAB9AALDH1A1L3MBTL1
SCHEMBL1506336 0.71 ENPP2 (0.32)
SCHEMBL29367157 0.71 ENPP2 (0.32)
SCHEMBL23702940 0.71 MEN1 (0.48) MEN1KMT2ARAB9AALDH1A1L3MBTL1
SCHEMBL27810693 0.71 MAP2K3 (0.53) MEN1KMT2ARAB9AALDH1A1L3MBTL1
SCHEMBL29952146 0.71 MEN1 (0.60) MEN1KMT2ARAB9AALDH1A1L3MBTL1
SCHEMBL16553222 0.71 MEN1 (0.60) MEN1KMT2ARAB9AALDH1A1L3MBTL1
SCHEMBL3210688 0.70 MEN1 (0.43) MEN1KMT2ARAB9AALDH1A1L3MBTL1

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed