SCHEMBL27535964

SCHEMBL27535964

Cc1[nH]nc(C(F)(F)F)c1CC(C)OC=O

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 3/20 0.34
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 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
SCHEMBL27810206 0.77 CYP1A2 (0.40) P2RX7
SCHEMBL27699978 0.72
SCHEMBL8802950 0.70 P2RX7 (0.39) P2RX7KDM4EPOLBMAPTKMT2A
SCHEMBL28025275 0.69 IKBKB (0.38) MAPTKMT2A
SCHEMBL27978202 0.69 P2RX7 (0.38) P2RX7KDM4EPOLBMAPTKMT2A
SCHEMBL20471482 0.69 DHODH (0.49) P2RX7KDM4EPOLBMAPTKMT2A
SCHEMBL10447528 0.67 P2RX7 (0.41) P2RX7KDM4EPOLBMAPTKMT2A
SCHEMBL28015242 0.67
SCHEMBL14487999 0.66 P2RX7 (0.43) P2RX7KDM4EPOLBMAPTKMT2A
SCHEMBL8804109 0.66 P2RX7 (0.40) P2RX7KDM4EPOLBMAPTKMT2A

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
CN-1078234-A Pyrazole carboxanilide fungicide MONSANTO CO (US) 1993-11-10 CN disclosed