SCHEMBL29952640

SCHEMBL29952640

O=C(Nc1ccccc1)c1cc(B(O)O)ccc1F

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.55
KMT2A Q03164 5/20 0.55
NPC1 O15118 4/20 0.55
RAB9A P51151 4/20 0.55
TDP1 Q9NUW8 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.51
LMNA P02545 2/20 0.50
TRPV1 Q8NER1 1/20 0.49
HTT P42858 3/20 0.48
ALDH1A1 P00352 1/20 0.47
TMPRSS4 Q9NRS4 1/20 0.47
TP53 P04637 2/20 0.46
HPGD P15428 2/20 0.46
KDM4E B2RXH2 1/20 0.46
HSD17B10 Q99714 1/20 0.46
GAA P10253 1/20 0.46
ESRRG P62508 1/20 0.46
PPARG P37231 1/20 0.46

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
SCHEMBL4243110 1.00 MEN1 (0.55) MEN1KMT2ANPC1RAB9ATDP1
SCHEMBL29954279 0.88 KMT2A (0.55) MEN1KMT2ANPC1RAB9ATDP1
SCHEMBL3790521 0.86 ALDH1A1 (0.56) MEN1KMT2ATDP1LMNATRPV1
SCHEMBL2560806 0.84 TP53 (0.50) MEN1KMT2ANPC1RAB9ATDP1
SCHEMBL2560439 0.81 FADS1 (0.58) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL15331049 0.80 HPGD (0.55) KMT2ANPC1RAB9ASMN1; SMN2LMNA
SCHEMBL16033805 0.78 PADI4 (0.55) KMT2ASMN1; SMN2LMNATRPV1HTT
SCHEMBL15219450 0.78 MEN1 (0.58) MEN1KMT2ANPC1RAB9ATDP1
SCHEMBL5786347 0.78 KAT6A (0.58) MEN1KMT2ANPC1RAB9ATDP1
SCHEMBL6812861 0.78 MEN1 (0.58) MEN1KMT2ANPC1RAB9ATDP1

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