SCHEMBL29954845

SCHEMBL29954845

O=C(c1cc(B(O)O)ccc1Cl)N1CCCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.53
USP2 O75604 1/20 0.53
TSHR P16473 2/20 0.51
POLB P06746 2/20 0.51
HSP90AA1 P07900 2/20 0.50
LMNA P02545 1/20 0.50
TP53 P04637 1/20 0.50
ALOX15 P16050 1/20 0.50
KDM4E B2RXH2 1/20 0.50
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
TDP1 Q9NUW8 1/20 0.48
NPC1 O15118 1/20 0.45
GLA P06280 1/20 0.45
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA9 Q16790 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.43
HSD11B1 P28845 1/20 0.43

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
SCHEMBL29955204 0.98 HPGD (0.55) HPGDUSP2TSHRPOLBHSP90AA1
SCHEMBL29955460 0.88 HPGD (0.53) HPGDUSP2TSHRPOLBHSP90AA1
SCHEMBL29953598 0.87 KDM4E (0.69) HPGDTSHRHSP90AA1LMNATP53
SCHEMBL20214134 0.87 KDM4E (0.69) HPGDTSHRHSP90AA1LMNATP53
SCHEMBL29952513 0.86 HPGD (0.55) HPGDUSP2TSHRPOLBHSP90AA1
SCHEMBL29952444 0.81 TSHR (0.55) HPGDUSP2TSHRLMNAKMT2A
SCHEMBL29951371 0.80 TSHR (0.57) HPGDUSP2TSHRLMNAKDM4E
SCHEMBL6422572 0.79 TSHR (0.71) HPGDUSP2TSHRPOLBHSP90AA1
SCHEMBL2516616 0.78 CPS1 (0.54) HPGDUSP2TSHRLMNAKDM4E
SCHEMBL22767193 0.78 HPGD (0.55) HPGDUSP2TSHRPOLBHSP90AA1

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