SCHEMBL6935115

SCHEMBL6935115

Cc1cc(F)ccc1[CH]c1ccc(Cl)cc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
NPC1 O15118 1/20 0.45
MAPT P10636 1/20 0.45
NFE2L2 Q16236 6/20 0.41
PTGS1 P23219 3/20 0.40
PTGS2 P35354 3/20 0.40
ALOX5 P09917 2/20 0.40
MAOB P27338 1/20 0.38
HTT P42858 1/20 0.35
PTGES2 Q9H7Z7 3/20 0.35
PDE2A O00408 1/20 0.35
PDE10A Q9Y233 1/20 0.35
AHR P35869 1/20 0.34
DHODH Q02127 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
SCHEMBL7389462 0.76 AHR (0.45) MAPTNFE2L2MAOBAHR
SCHEMBL9592335 0.74 TDP1 (0.48) ALDH1A1NPC1MAPTNFE2L2DHODH
SCHEMBL9664423 0.74 ALDH1A1 (0.59) ALDH1A1NPC1MAPTNFE2L2MAOB
SCHEMBL7011173 0.74 NFE2L2 (0.41) ALDH1A1NPC1MAPTNFE2L2PTGS1
SCHEMBL13354684 0.72 NMT1 (0.41) NPC1PTGS2AHR
SCHEMBL11411053 0.70 ALDH1A1 (0.59) ALDH1A1NPC1MAPTPTGS1PTGS2
SCHEMBL11411172 0.69 ALDH1A1 (0.58) ALDH1A1NPC1MAPTPTGS1PTGS2
SCHEMBL9591612 0.69 TDP1 (0.56) ALDH1A1NPC1MAPTAHR
SCHEMBL867378 0.69 PTGS2 (0.41) NFE2L2PTGS1PTGS2ALOX5
SCHEMBL8556572 0.69 PTGS2 (0.41) NFE2L2PTGS1PTGS2ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1313426-A2 SUCCINOYLAMINO BENZODIAZEPINES AS INHIBITORS OF A-BETA PROTEIN PRODUCTION Bristol-Myers Squibb Pharma Company (US) 2003-05-28 EP disclosed
EP-1313426-A4 SUCCINOYLAMINO BENZODIAZEPINES AS INHIBITORS OF A-BETA PROTEIN PRODUCTION BRISTOL MYERS SQUIBB PHARMA CO (US) 2003-05-28 EP disclosed
WO-2000038618-A2 SUCCINOYLAMINO BENZODIAZEPINES AS INHIBITORS OF Aβ PROTEIN PRODUCTION DU PONT PHARMACEUTICALS COMPANY (US) 2000-07-06 WO disclosed