SCHEMBL29954699

SCHEMBL29954699

O=C(Nc1ccc(Cl)cc1)c1cccc(B(O)O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RHOC P08134 1/20 0.54
RHOA P61586 1/20 0.54
KCNK3 O14649 2/20 0.52
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
TP53 P04637 2/20 0.52
ALDH1A1 P00352 2/20 0.52
KDM4E B2RXH2 1/20 0.52
MAPT P10636 2/20 0.51
HTT P42858 2/20 0.51
TRPV1 Q8NER1 1/20 0.51
NPC1 O15118 1/20 0.51
NFKB1 P19838 1/20 0.51
STAT3 P40763 1/20 0.51
RAB9A P51151 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
KCNK9 Q9NPC2 1/20 0.50
BACE1 P56817 1/20 0.50

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
SCHEMBL1933481 0.86 HDAC1 (0.63) KCNK3MEN1KMT2AMAPTTRPV1
SCHEMBL722066 0.85 MEN1 (0.73) KCNK3MEN1KMT2AKDM4ENPC1
SCHEMBL27194943 0.85 SMN1; SMN2 (0.63) KCNK3MEN1KMT2ATP53KDM4E
SCHEMBL29951533 0.85 NPC1 (0.68) MEN1KMT2AALDH1A1MAPTHTT
SCHEMBL29952403 0.82 RAB9A (0.66) KCNK3MEN1KMT2AALDH1A1KDM4E
SCHEMBL3674558 0.82 KCNK3 (0.71) KCNK3MEN1KMT2ATP53KDM4E
SCHEMBL2556521 0.81 LMNA (0.57) MEN1KMT2AALDH1A1MAPTNPC1
SCHEMBL2560174 0.81 TRPV1 (0.67) MEN1KMT2ATRPV1NPC1RAB9A
SCHEMBL16516375 0.80 CNR1 (0.63) MEN1KMT2AALDH1A1MAPTHTT
SCHEMBL2555750 0.79 NPC1 (0.69) KCNK3MEN1KMT2AKDM4EMAPT

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