SCHEMBL9801808

SCHEMBL9801808

Cc1nc2n(C)nc(C)n2c(=O)c1CCO

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
GAA P10253 3/20 0.31
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL3557732 0.74 ADORA1 (0.56) KDM4EALDH1A1MAPTGAA
SCHEMBL9424995 0.73 KDM4E (0.41) KDM4EALDH1A1MAPTGAACYP2D6
SCHEMBL9382067 0.69 KDM4E (0.43) KDM4EALDH1A1MAPTGAACYP2D6
SCHEMBL9383926 0.67 KDM4E (0.41) KDM4EALDH1A1MAPTGAACYP2D6
SCHEMBL5107992 0.67 KDM4E (0.44) KDM4EALDH1A1MAPTGAA
SCHEMBL10831986 0.66 KDM4E (0.43) KDM4EALDH1A1MAPTGAA
SCHEMBL9388846 0.65 KDM4E (0.37) KDM4E
SCHEMBL7145868 0.65 KDM4E (0.42) KDM4EALDH1A1MAPTGAACYP2D6
SCHEMBL9425282 0.65 KDM4E (0.39) KDM4EALDH1A1MAPTGAA
SCHEMBL9382528 0.63 KDM4E (0.38) KDM4EALDH1A1MAPTGAACYP2D6

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-5008268-A Antiallergens JANSSEN PHARMACEUTICA N.V. (BE) 1991-04-16 US disclosed