SCHEMBL29952444

SCHEMBL29952444

O=C(c1cc(B(O)O)ccc1F)N1CCCC1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.55
HPGD P15428 5/20 0.50
LMNA P02545 1/20 0.46
USP2 O75604 1/20 0.45
CNR1 P21554 3/20 0.45
CPS1 P31327 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MAP2K2 P36507 1/20 0.42
MAP2K1 Q02750 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PARP1 P09874 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
SCHEMBL29951371 0.98 TSHR (0.57) TSHRHPGDLMNAUSP2CNR1
SCHEMBL2516616 0.88 CPS1 (0.54) TSHRHPGDLMNAUSP2CNR1
SCHEMBL2207253 0.87 MAPT (0.55) TSHRCNR1SMN1; SMN2ALDH1A1
SCHEMBL29954438 0.87 MAPT (0.55) TSHRCNR1SMN1; SMN2ALDH1A1
SCHEMBL29951438 0.86 CPS1 (0.52) TSHRHPGDLMNAUSP2CNR1
SCHEMBL29954845 0.81 HPGD (0.53) TSHRHPGDLMNAUSP2MEN1
SCHEMBL29955204 0.80 HPGD (0.55) TSHRHPGDLMNAUSP2MEN1
SCHEMBL14536907 0.79 HPGD (0.61) TSHRHPGDLMNAUSP2CNR1
SCHEMBL29944128 0.79 TSHR (0.62) TSHRHPGDLMNACNR1MEN1
SCHEMBL29955460 0.78 HPGD (0.53) TSHRHPGDLMNAUSP2MEN1

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