SCHEMBL29953029

SCHEMBL29953029

OB(O)c1c(C(F)(F)F)ccc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.45
KDM4E B2RXH2 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 2/20 0.45
POLB P06746 2/20 0.45
GLA P06280 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
ATM Q13315 1/20 0.45
CYP2A6 P11509 1/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KCNJ11 Q14654 8/20 0.39
ABCC9 O60706 4/20 0.39
ABCC8 Q09428 4/20 0.39
KCNJ8 Q15842 4/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39

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
SCHEMBL25873074 0.80 HSD17B10 (0.38) HSD17B10KDM4EMEN1KMT2AALDH1A1
SCHEMBL20984005 0.75 HSD17B10 (0.44) HSD17B10KDM4EMEN1KMT2AALDH1A1
SCHEMBL22584748 0.75 HSD17B10 (0.44) HSD17B10ALDH1A1POLBCYP2A6TSHR
SCHEMBL7304753 0.75 HSD17B10 (0.59) HSD17B10KDM4EMEN1KMT2AALDH1A1
SCHEMBL29950886 0.75 HSD17B10 (0.44) HSD17B10KDM4EMEN1KMT2AALDH1A1
SCHEMBL3200833 0.74 HSD17B10 (0.35) HSD17B10KDM4EMEN1KMT2AALDH1A1
SCHEMBL29954753 0.74 MAPT (0.37) HSD17B10KDM4EMEN1KMT2AALDH1A1
SCHEMBL2560798 0.74 SLC2A1 (0.48) HSD17B10KDM4EMEN1KMT2AALDH1A1
SCHEMBL3783762 0.73 MGLL (0.43) HSD17B10KDM4EMEN1KMT2AALDH1A1
SCHEMBL5432699 0.72 CYP2A6 (0.46) HSD17B10ALDH1A1HPGDPOLBMAPT

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