SCHEMBL29952515

SCHEMBL29952515

Cc1ncc(C=O)c(C)c1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.49
ALDH1A1 P00352 2/20 0.49
HPGD P15428 2/20 0.49
LMNA P02545 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
AOX1 Q06278 1/20 0.49
TRIM24 O15164 1/20 0.47
TRIM33 Q9UPN9 1/20 0.47
ERN1 O75460 10/20 0.43
ESR1 P03372 1/20 0.41
PTGS1 P23219 1/20 0.41
ACP1 P24666 1/20 0.41
PDE4A P27815 1/20 0.41
P2RX1 P51575 1/20 0.41
P2RX2 Q9UBL9 1/20 0.41
HSD17B10 Q99714 1/20 0.37
PDXK O00764 1/20 0.37
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 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
SCHEMBL14575607 0.81 KDM4E (0.44) KDM4EALDH1A1HPGDLMNAMEN1
SCHEMBL15577964 0.81 KDM4E (0.38) KDM4EALDH1A1HPGDLMNAMEN1
SCHEMBL10803937 0.77 KDM4E (0.58) KDM4EALDH1A1HPGDLMNAMEN1
SCHEMBL11011837 0.75 KDM4E (0.57) KDM4EALDH1A1HPGDLMNAMEN1
SCHEMBL2147331 0.74 NPSR1 (0.39) KDM4EALDH1A1LMNAERN1TLR2
SCHEMBL14750234 0.73 IGF1R (0.45) KDM4EALDH1A1HPGDLMNAMEN1
SCHEMBL22621761 0.71 CYP1A2 (0.34) KDM4EALDH1A1HPGDLMNAMEN1
SCHEMBL8265770 0.71 KDM4E (0.62) KDM4EALDH1A1HPGDLMNAMEN1
SCHEMBL29956056 0.71 CCR1 (0.45) KDM4EALDH1A1HPGDLMNAMEN1
SCHEMBL3806777 0.71 CCR1 (0.45) KDM4EALDH1A1HPGDLMNAMEN1

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