SCHEMBL20406290

SCHEMBL20406290

COCC(F)(F)c1ccc(Oc2ncc(COCC(F)(F)c3ccc(Oc4ncccc4-c4ccc(F)cc4OC)cn3)cc2-c2ccccc2OC)cn1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.37
▸ POLB P06746 1/20 0.37
▸ SYK P43405 2/20 0.36
▸ PDE10A Q9Y233 5/20 0.34
▸ GRM5 P41594 2/20 0.33
▸ GPBAR1 Q8TDU6 3/20 0.33
▸ GPR6 P46095 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ GRIN2B Q13224 1/20 0.32

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
SCHEMBL18661468 0.89 SYK (0.39) MAPTKDM4EMAPK1NPSR1POLB
SCHEMBL20394406 0.85 GPBAR1 (0.39) MAPTKDM4EMAPK1NPSR1POLB
SCHEMBL20394367 0.85 SYK (0.38) MAPTKDM4EMAPK1NPSR1POLB
SCHEMBL20755025 0.85 KDM4E (0.41) MAPTKDM4EMAPK1NPSR1POLB
SCHEMBL18661455 0.85 PDE10A (0.43) PDE10A
SCHEMBL18661469 0.84 SYK (0.39) MAPTKDM4EMAPK1NPSR1POLB
SCHEMBL20406717 0.83 SYK (0.37) MAPTKDM4EMAPK1NPSR1POLB
SCHEMBL20406480 0.81 SYK (0.37) MAPTKDM4EMAPK1NPSR1POLB
SCHEMBL20394474 0.81 SYK (0.41) MAPTKDM4EMAPK1NPSR1POLB
SCHEMBL20406778 0.80 ABL1 (0.35) PDE10AGPBAR1

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-3351533-A1 BIARYL DERIVATIVE AND MEDICINE CONTAINING SAME Kaken Pharmaceutical Co., Ltd. (JP) 2018-07-25 — — EP disclosed
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