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SCHEMBL15520201

SCHEMBL15520201

COC(=O)Oc1cnc(Oc2ccc(C(C)C(O)(c3ccc4oc(=O)n(C)c4c3)C(F)(F)F)c(Cl)c2)nc1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GPR55 Q9Y2T6 2/20 0.32
▸ LRRK2 Q5S007 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ TP53 P04637 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ KMO O15229 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
SCHEMBL15519897 0.94 KMO (0.32) GPR55LRRK2TP53MAPTKMO
SCHEMBL473920 0.92 MET (0.32) GPR55LRRK2MEN1KMT2ATP53
SCHEMBL12164236 0.92 MET (0.32) GPR55LRRK2MEN1KMT2ATP53
SCHEMBL473996 0.90 PTGER4 (0.33) GPR55LRRK2TP53MAPTKMO
SCHEMBL12164237 0.90 PTGER4 (0.33) GPR55LRRK2TP53MAPTKMO
SCHEMBL474015 0.89 KDM4E (0.33) GPR55LRRK2MEN1KMT2ATP53
SCHEMBL12164225 0.89 KDM4E (0.33) GPR55LRRK2MEN1KMT2ATP53
SCHEMBL15520499 0.87 HTR2A (0.31) GPR55MEN1KMT2AMAPTKMO
SCHEMBL15580700 0.87 MET (0.32) GPR55LRRK2MEN1KMT2ALMNA
SCHEMBL12164174 0.84 KMO (0.38) MEN1KMT2ALMNAKMO

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-2411365-B1 2,3-DIARYL- OR HETEROARYL-SUBSTITUTED 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS HOFFMANN LA ROCHE (CH) 2014-03-19 — — EP claimed