SCHEMBL6444776

SCHEMBL6444776

CSc1nccc(C(C=O)c2ccc(C)c(OCc3ccccc3)c2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
STAT3 P40763 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LMNA P02545 1/20 0.35
MAPK9 P45984 1/20 0.33
MAPK10 P53779 1/20 0.33
DHODH Q02127 1/20 0.33
PIK3CD O00329 1/20 0.33
ABL1 P00519 1/20 0.33
HCK P08631 1/20 0.33
SRC P12931 1/20 0.33
KDR P35968 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
MTOR P42345 1/20 0.33
PIK3CG P48736 1/20 0.33
EPHB4 P54760 1/20 0.33
PRKDC P78527 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
SCHEMBL6440239 0.89 LMNA (0.34) STAT3HTTSMN1; SMN2LMNADHODH
SCHEMBL5745770 0.84 SMN1; SMN2 (0.45) HTTSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL7253009 0.78 MEN1 (0.41) HTTSMN1; SMN2LMNAMAPK9MAPK10
SCHEMBL6443197 0.75 CNR1 (0.43) HTTSMN1; SMN2MEN1KMT2ARXRA
SCHEMBL6440316 0.75 SMPD1 (0.41) SMN1; SMN2RAB9AKMT2AACHE
SCHEMBL6440225 0.75 DYRK1A (0.36) HTTLMNAMAPK1L3MBTL1ACHE
SCHEMBL6443205 0.74 MAPK9 (0.34) HTTLMNAMAPK9MAPK10SRC
SCHEMBL5746437 0.72 TLR4 (0.41) SMN1; SMN2DHODHMEN1KMT2AMAPT
SCHEMBL27527595 0.72 KDM4C (0.35) STAT3HTTSMN1; SMN2LMNAKDM4C
SCHEMBL6025036 0.72 GAA (0.38) HTTSMN1; SMN2LMNAMAPK9MAPK10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1499577-A1 2-(2,6-DICHLOROPHENYL)-DIARYLIMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2005-01-26 EP disclosed
WO-2003087026-A1 2-(2,6-DICHLOROPHENYL)-DIARYLIMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2003-10-23 WO disclosed