SCHEMBL22790769

SCHEMBL22790769

CCNC1CCCCCCCCCCCC1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.48
KCNH2 Q12809 1/20 0.46
ALDH1A1 P00352 2/20 0.45
HSD17B10 Q99714 1/20 0.45
SHBG P04278 1/20 0.42
DPP7 Q9UHL4 2/20 0.41
HRH3 Q9Y5N1 1/20 0.41
EPHX1 P07099 2/20 0.40
PABPC1 P11940 1/20 0.40
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL22416728 1.00 KDM4E (0.48) KDM4EKCNH2ALDH1A1HSD17B10SHBG
SCHEMBL1037554 1.00 KDM4E (0.48) KDM4EKCNH2ALDH1A1HSD17B10SHBG
SCHEMBL24728 1.00
SCHEMBL11573949 1.00 KDM4E (0.48) KDM4EKCNH2ALDH1A1HSD17B10SHBG
SCHEMBL22316957 1.00 KDM4E (0.48) KDM4EKCNH2ALDH1A1HSD17B10SHBG
SCHEMBL1485686 1.00 KDM4E (0.48) KDM4EKCNH2ALDH1A1HSD17B10SHBG
SCHEMBL17041905 0.97 KDM4E (0.46) KDM4EKCNH2ALDH1A1HSD17B10SHBG
Fluoride SCHEMBL9620604 0.97 KDM4E (0.46) KDM4EKCNH2ALDH1A1HSD17B10SHBG
Ammonia Solution, Strong SCHEMBL28857856 0.97 KDM4E (0.46) KDM4EKCNH2ALDH1A1HSD17B10SHBG
Bromide SCHEMBL28155616 0.97 KDM4E (0.46) KDM4EKCNH2ALDH1A1HSD17B10SHBG

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020251972-A1 SMARCA DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2020-12-17 WO disclosed
WO-2020251971-A1 SMARCA DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2020-12-17 WO disclosed