SCHEMBL9869339

SCHEMBL9869339

Cc1cnc2c(C#N)cnn2c1-c1ccccc1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4D Q6B0I6 1/20 0.45
KDM4E B2RXH2 9/20 0.42
ALDH1A1 P00352 6/20 0.41
AR P10275 2/20 0.41
HPGD P15428 2/20 0.41
CLK4 Q9HAZ1 1/20 0.41
TRPA1 O75762 1/20 0.40
GLA P06280 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PDE2A O00408 2/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
HSD11B1 P28845 1/20 0.39
POLB P06746 2/20 0.39
LMNA P02545 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
MDM2 Q00987 1/20 0.38
HTT P42858 1/20 0.36
RECQL P46063 1/20 0.36

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
SCHEMBL11464623 0.78 KDM4E (0.62) KDM4DKDM4EALDH1A1ARHPGD
SCHEMBL9468727 0.77 KDM4E (0.65) KDM4DKDM4EALDH1A1HPGDCLK4
SCHEMBL3160795 0.73 KDM4D (0.52) KDM4DKDM4EALDH1A1HPGDCLK4
SCHEMBL14014371 0.71 KDM4E (0.59) KDM4DKDM4EALDH1A1HPGDCLK4
SCHEMBL10334307 0.71 KDM4E (0.61) KDM4DKDM4EALDH1A1HPGDCLK4
SCHEMBL10554497 0.70 KDM4E (0.47) KDM4DKDM4EALDH1A1HPGDCLK4
SCHEMBL29071791 0.69 KDM4E (0.67) KDM4DKDM4EALDH1A1HPGDCLK4
SCHEMBL4706821 0.66 KDM4E (0.52) KDM4DKDM4EALDH1A1HPGDCLK4
SCHEMBL4708050 0.66 KDM4E (0.52) KDM4DKDM4EALDH1A1HPGDCLK4
SCHEMBL14013969 0.66 KDM4D (0.46) KDM4DKDM4EALDH1A1HPGDCLK4

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-5013737-A Hypotensive, anxiolytic, cognitive disorders AMERICAN CYANAMID COMPANY (US) 1991-05-07 US disclosed