SCHEMBL29955902

SCHEMBL29955902

CCCCNC(=O)c1ccc(B(O)O)cc1F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.53
TSHR P16473 2/20 0.53
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HDAC3 O15379 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
NAAA Q02083 2/20 0.44
BCL2 P10415 1/20 0.43
MCL1 Q07820 1/20 0.43
TMEM97 Q5BJF2 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KCNA3 P22001 1/20 0.42
HTR2A P28223 1/20 0.42
TP53 P04637 2/20 0.41
ALOX15 P16050 1/20 0.41
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
RAB9A P51151 1/20 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
SCHEMBL31320036 0.95 NAAA (0.51) HTTTSHRHPGDSMN1; SMN2HDAC3
SCHEMBL3983398 0.92 L3MBTL1 (0.49) HTTTSHRHPGDTMEM97SIGMAR1
SCHEMBL29957324 0.89 TSHR (0.53) HTTTSHRHPGDSMN1; SMN2HDAC3
SCHEMBL29954265 0.85 LMNA (0.42) HPGDHDAC1TMEM97SIGMAR1L3MBTL1
SCHEMBL13644472 0.84 MAOB (0.41) TSHRHDAC3TMEM97SIGMAR1NPC1
SCHEMBL14743123 0.84 MAP2K2 (0.47) HTTHPGDTMEM97SIGMAR1NPC1
SCHEMBL12693827 0.83 HDAC6 (0.41) TSHRHPGDHDAC3HDAC1NAAA
SCHEMBL15798271 0.83 HDAC6 (0.46) HTTSMN1; SMN2HDAC3HDAC1LMNA
Hydrochloric Acid SCHEMBL23827734 0.83 PMP22 (0.42) TSHRHDAC3TMEM97SIGMAR1L3MBTL1
Hydrochloric Acid SCHEMBL30152034 0.83 PMP22 (0.42) TSHRHDAC3TMEM97SIGMAR1L3MBTL1

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