SCHEMBL29953078

SCHEMBL29953078

Cn1c(B(O)O)cc2cc(F)ccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.54
ALDH1A1 P00352 2/20 0.54
HPGD P15428 1/20 0.54
HSD17B10 Q99714 1/20 0.54
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
IDO1 P14902 1/20 0.39
LMNA P02545 2/20 0.38
HCRTR1 O43613 1/20 0.36
HTR3E A5X5Y0 1/20 0.36
HTR3B O95264 1/20 0.36
HTR3A P46098 1/20 0.36
HTR3D Q70Z44 1/20 0.36
HTR3C Q8WXA8 1/20 0.36
TP53 P04637 1/20 0.35
POLB P06746 1/20 0.35
HTR2A P28223 2/20 0.34
HTR2C P28335 2/20 0.34
HSP90AA1 P07900 1/20 0.33
KCNH2 Q12809 1/20 0.33

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
SCHEMBL29957181 0.86 KDM4E (0.39) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL1606273 0.86 KDM4E (0.39) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL29951155 0.80 MAPT (0.49) MEN1KMT2ALMNATP53POLB
SCHEMBL3965642 0.80 MAPT (0.49) MEN1KMT2ALMNATP53POLB
SCHEMBL29951367 0.79 RXFP1 (0.47) KDM4EMEN1KMT2AHCRTR1MAPT
SCHEMBL411586 0.76 DAO (0.50) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL29955182 0.76 DAO (0.50) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL29951356 0.75 KDM4E (0.46) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL8040679 0.73 ALDH1A1 (0.56) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL3280367 0.71 KDM4E (0.54) KDM4EALDH1A1HPGDHSD17B10MEN1

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