SCHEMBL7398355

SCHEMBL7398355

N#CCOc1cccc(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.50
WDR5 P61964 1/20 0.50
LMNA P02545 1/20 0.49
MAPK1 P28482 1/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
DRD2 P14416 1/20 0.46
DRD4 P21917 1/20 0.46
KMT2A Q03164 2/20 0.45
KCNH2 Q12809 1/20 0.45
MAOB P27338 1/20 0.44
AOC3 Q16853 1/20 0.44
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
RXRG P48443 1/20 0.44
NR4A2 P43354 1/20 0.43
MEN1 O00255 1/20 0.43
KDM4E B2RXH2 1/20 0.43
FFAR1 O14842 1/20 0.43

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
SCHEMBL509575 0.86 FFAR1 (0.48) GRM5HTTSMN1; SMN2MAOBKDM4E
SCHEMBL29705745 0.84 LMNA (0.50) WDR5LMNAMAPK1HTTSMN1; SMN2
SCHEMBL23164036 0.84 LMNA (0.50) WDR5LMNAMAPK1HTTSMN1; SMN2
SCHEMBL5203983 0.81 GRM5 (0.50) GRM5WDR5LMNAMAPK1HTT
SCHEMBL5757417 0.81 MAOB (0.51) GRM5WDR5LMNAMAPK1HTT
SCHEMBL8959013 0.80 AR (0.46) KCNH2
SCHEMBL4849887 0.78 FFAR1 (0.44) SMN1; SMN2KMT2AMAOBNR4A2MEN1
SCHEMBL9808215 0.77 LMNA (0.67) WDR5LMNAMAPK1HTTSMN1; SMN2
SCHEMBL6819669 0.77 FFAR1 (0.43) LMNASMN1; SMN2KDM4EFFAR1
SCHEMBL8195129 0.77 ACHE (0.50) LMNAHTTSMN1; SMN2DRD2DRD4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1183238-A1 METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2002-03-06 EP disclosed
EP-1142881-A1 POLY(ADP-RIBOSE) POLYMERASE INHIBITORS CONSISTING OF PYRIMIDINE DERIVATIVES MEIJI SEIKA KAISHA LTD. (JP) 2001-10-10 EP disclosed
WO-2000078737-A2 ARYLOXY ETHYLAMINO TRIAZINES AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2000-12-28 WO disclosed
WO-2000069816-A1 METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2000-11-23 WO disclosed