SCHEMBL7964644

SCHEMBL7964644

COc1cccc2[nH]c(C)c(CC(=O)N(N)Cc3ccccc3)c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.44
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 3/20 0.41
MAPT P10636 2/20 0.41
PLA2G2A P14555 5/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HSD17B10 Q99714 2/20 0.40
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
GAA P10253 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.38
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB1 P18505 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
SCHEMBL7933092 0.80 KDM4E (0.56) SLC2A1ALDH1A1KDM4EMAPTMEN1
SCHEMBL7965141 0.77 SLC2A1 (0.54) SLC2A1ALDH1A1KDM4EMAPTHSD17B10
SCHEMBL18509726 0.73 SLC2A1 (0.55) SLC2A1ALDH1A1KDM4EMAPTMEN1
SCHEMBL18029380 0.72 SLC2A1 (0.49) SLC2A1ALDH1A1KDM4EMAPTMEN1
SCHEMBL31370393 0.72 SLC2A1 (0.49) SLC2A1ALDH1A1KDM4EMAPTMEN1
SCHEMBL8293138 0.70 ADRA2A (0.47) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL7693001 0.69 AKR1C2 (0.49) SLC2A1ALDH1A1KDM4EMAPTMEN1
SCHEMBL24723412 0.68 MEN1 (0.58) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL9017471 0.68 AKR1C2 (0.47) SLC2A1ALDH1A1KDM4EMAPTMEN1
SCHEMBL25748034 0.67 HTR2C (0.66) SLC2A1ALDH1A1KDM4EMAPTABCG2

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-6252084-B1 THERAPY FOR SEPSIS SHOCK ELI LILLY AND COMPANY 2001-06-26 US disclosed