SCHEMBL29952403

SCHEMBL29952403

O=C(Nc1ccc(F)c(F)c1)c1cccc(B(O)O)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.66
NPC1 O15118 7/20 0.66
HTR2B P41595 1/20 0.57
KMT2A Q03164 5/20 0.53
MEN1 O00255 4/20 0.53
KCNK3 O14649 1/20 0.51
CASP3 P42574 2/20 0.51
SENP7 Q9BQF6 2/20 0.51
SENP6 Q9GZR1 2/20 0.51
MAOB P27338 2/20 0.51
KDM4E B2RXH2 1/20 0.51
LMNA P02545 1/20 0.51
SENP8 Q96LD8 1/20 0.51
HPGD P15428 1/20 0.50
ALDH1A1 P00352 1/20 0.49
NFKB1 P19838 1/20 0.48
HTT P42858 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL29951533 0.88 NPC1 (0.68) RAB9ANPC1KMT2AMEN1MAOB
SCHEMBL722066 0.85 MEN1 (0.73) RAB9ANPC1HTR2BKMT2AMEN1
SCHEMBL2555750 0.85 NPC1 (0.69) RAB9ANPC1KMT2AMEN1KCNK3
SCHEMBL29894244 0.85 MAPT (0.64) RAB9ANPC1HTR2BKMT2AMEN1
SCHEMBL28687053 0.85 MAPT (0.64) RAB9ANPC1HTR2BKMT2AMEN1
SCHEMBL29954699 0.82 RHOC (0.54) RAB9ANPC1KMT2AMEN1KCNK3
SCHEMBL29894462 0.81 HTR2B (0.65) RAB9ANPC1HTR2BKMT2AMEN1
SCHEMBL28670681 0.81 HTR2B (0.65) RAB9ANPC1HTR2BKMT2AMEN1
SCHEMBL29894358 0.81 PTK2B (0.51) RAB9ANPC1HTR2BKMT2AMEN1
SCHEMBL28667305 0.81 PTK2B (0.51) RAB9ANPC1HTR2BKMT2AMEN1

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