SCHEMBL29951371

SCHEMBL29951371

O=C(c1cc(B(O)O)ccc1F)N1CCCCC1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.57
HPGD P15428 6/20 0.51
CNR1 P21554 3/20 0.47
LMNA P02545 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
USP2 O75604 1/20 0.44
ALDH1A1 P00352 3/20 0.44
CPS1 P31327 1/20 0.43
KDM4E B2RXH2 1/20 0.42
PARP1 P09874 3/20 0.42
MAP2K2 P36507 1/20 0.41
MAP2K1 Q02750 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
SCHEMBL29952444 0.98 TSHR (0.55) TSHRHPGDCNR1LMNAMEN1
SCHEMBL29951438 0.88 CPS1 (0.52) TSHRHPGDCNR1LMNAMEN1
SCHEMBL2516616 0.86 CPS1 (0.54) TSHRHPGDCNR1LMNAMEN1
SCHEMBL2207253 0.85 MAPT (0.55) TSHRCNR1ALDH1A1KDM4E
SCHEMBL29954438 0.85 MAPT (0.55) TSHRCNR1ALDH1A1KDM4E
SCHEMBL29955204 0.82 HPGD (0.55) TSHRHPGDLMNAMEN1KMT2A
SCHEMBL29944128 0.81 TSHR (0.62) TSHRHPGDCNR1LMNAMEN1
SCHEMBL29954845 0.80 HPGD (0.53) TSHRHPGDLMNAMEN1KMT2A
SCHEMBL29952513 0.79 HPGD (0.55) TSHRHPGDLMNAMEN1KMT2A
SCHEMBL10126547 0.78 TSHR (0.59) TSHRHPGDCNR1LMNAMEN1

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