SCHEMBL9702416

SCHEMBL9702416

COc1cccc(C2=NC(C)(C)CO2)c1C

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
ATM Q13315 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
HRH3 Q9Y5N1 1/20 0.35
IL2 P60568 1/20 0.35
CD274 Q9NZQ7 1/20 0.34
IDO1 P14902 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
SCHEMBL540 0.86 KDM4E (0.50) KDM4EATMALDH1A1HTT
SCHEMBL29527964 0.86 KDM4E (0.50) KDM4EATMALDH1A1HTT
SCHEMBL6299778 0.85 KDM4E (0.50) KDM4EALDH1A1
SCHEMBL10737493 0.84 KDM4E (0.47) KDM4EATMALDH1A1HTT
SCHEMBL7105642 0.82 KDM4E (0.47) KDM4EATMALDH1A1HTTHRH3
SCHEMBL8491858 0.82 KDM4E (0.47) KDM4EATMALDH1A1HTTHRH3
SCHEMBL7023321 0.81 KDM4E (0.56) KDM4EATMALDH1A1HTTHRH3
SCHEMBL14668870 0.81 KDM4E (0.56) KDM4EATMALDH1A1HTTHRH3
SCHEMBL11487649 0.81 KDM4E (0.46) KDM4EATMALDH1A1HTTHRH3
SCHEMBL22560182 0.80 KDM4E (0.43) KDM4EATMALDH1A1HTTHRH3

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
EP-0496548-A1 Carbacyclin analogs PURDUE RESEARCH FOUNDATION (US) 1992-07-29 EP disclosed