SCHEMBL29952277

SCHEMBL29952277

COc1ccc(SCc2ccccc2B(O)O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.46
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
ALDH1A1 P00352 3/20 0.42
ENPP2 Q13822 2/20 0.42
NPC1 O15118 1/20 0.42
NFKB1 P19838 1/20 0.42
RAB9A P51151 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
MMP2 P08253 3/20 0.41
MMP9 P14780 3/20 0.41

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
SCHEMBL29953599 0.84 MTNR1A (0.49) MAOAMAOBMTNR1AMTNR1BALDH1A1
SCHEMBL29955292 0.76 ENPP2 (0.55) MTNR1AMTNR1BENPP2RAB9ASMN1; SMN2
SCHEMBL15332971 0.76 LIPG (0.46) APPMAOAMAOBENPP2NPC1
SCHEMBL2553795 0.75 LIPG (0.39) ALDH1A1SMN1; SMN2POLBDAOMAPT
SCHEMBL15331471 0.74 CXCR2 (0.40) ALDH1A1SMN1; SMN2KMT2AMEN1KDM4E
SCHEMBL29955348 0.73 APP (0.64) APPMAOAMAOBMTNR1AMTNR1B
SCHEMBL2433694 0.73 APP (0.69) APPMAOAMAOBALDH1A1NPC1
SCHEMBL29957934 0.73 ENPP2 (0.54) APPMAOAMAOBMTNR1AMTNR1B
SCHEMBL29953070 0.71 SLC6A2 (0.43) MAOAMAOBALDH1A1ENPP2KMT2A
SCHEMBL3228582 0.70 APP (0.82) APPMAOAMAOBALDH1A1NPC1

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