SCHEMBL9586353

SCHEMBL9586353

Cc1ccnc(-c2cccc(CCc3ccc(Cl)cc3)n2)n1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.42
FFAR1 O14842 2/20 0.39
KCNH2 Q12809 2/20 0.38
KDM4E B2RXH2 2/20 0.36
TSHR P16473 1/20 0.36
DHFR P00374 1/20 0.36
MAPK1 P28482 1/20 0.36
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
GAA P10253 1/20 0.35
GPR39 O43194 1/20 0.34
DYRK1A Q13627 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
GPBAR1 Q8TDU6 1/20 0.34

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
SCHEMBL9025837 0.88 GRM5 (0.43) GRM5FFAR1KDM4ETSHRMAPK1
SCHEMBL10368628 0.80 GRM5 (0.39) GRM5FFAR1KCNH2KDM4ETSHR
SCHEMBL10369402 0.78 KCNH2 (0.47) GRM5KCNH2
SCHEMBL14732908 0.77 CCR1 (0.42) GRM5FFAR1KCNH2
SCHEMBL9024906 0.76 GRM5 (0.44) GRM5FFAR1GPR39
SCHEMBL9500899 0.75 BRD4 (0.41) GRM5FFAR1KCNH2
SCHEMBL9027236 0.75 FFAR1 (0.40) GRM5FFAR1KDM4ETSHRMAPK1
SCHEMBL14733157 0.74 GRM5 (0.44) GRM5FFAR1KCNH2
SCHEMBL9025927 0.73 GRM5 (0.38) GRM5FFAR1TSHR
SCHEMBL15470589 0.73 CCR1 (0.60) GRM5

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-5208239-A Plant fungicides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-05-04 US disclosed