SCHEMBL6567252

SCHEMBL6567252

Oc1c(Cl)cc(-c2csc(COc3ccccc3)n2)cc1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.52
L3MBTL1 Q9Y468 4/20 0.52
TDP1 Q9NUW8 2/20 0.52
ALDH1A1 P00352 4/20 0.52
NPSR1 Q6W5P4 1/20 0.52
PPARD Q03181 3/20 0.47
PPARA Q07869 2/20 0.47
POLB P06746 1/20 0.46
KDM4E B2RXH2 1/20 0.44
ALOX5 P09917 2/20 0.43
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 1/20 0.42
CD74 P04233 1/20 0.42
MIF P14174 1/20 0.42
MAPK1 P28482 1/20 0.42
PRMT5 O14744 1/20 0.41

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
SCHEMBL15430010 0.81 MAPT (0.59) MAPTL3MBTL1TDP1ALDH1A1PPARD
SCHEMBL6565718 0.80 ALDH1A1 (0.51) MAPTL3MBTL1ALDH1A1NPC1RAB9A
SCHEMBL6567198 0.79 LOXL2 (0.48) MAPTALDH1A1POLBKDM4ENPC1
SCHEMBL14765480 0.79 L3MBTL1 (0.53) MAPTL3MBTL1TDP1ALDH1A1NPSR1
SCHEMBL6568646 0.74 KDM4E (0.61) MAPTALDH1A1POLBKDM4ENPC1
SCHEMBL12081673 0.73 POLB (0.70) MAPTL3MBTL1ALDH1A1PPARDPPARA
SCHEMBL6565582 0.73 ALDH1A1 (0.43) MAPTL3MBTL1ALDH1A1POLBKDM4E
SCHEMBL7478013 0.72 PPARD (0.58) MAPTL3MBTL1TDP1PPARDPPARA
SCHEMBL6568655 0.72 CNR2 (0.50) MAPTL3MBTL1TDP1ALDH1A1POLB
SCHEMBL13484544 0.71 PPARD (0.53) MAPTL3MBTL1ALDH1A1NPSR1PPARD

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-1402887-A1 New compounds for the inhibition of undesired cell proliferation and use thereof Jerini AG (DE) 2004-03-31 EP claimed
EP-1402888-A1 The use of substituted carbocyclic compounds as rotamases inhibitors Jerini AG (DE) 2004-03-31 EP claimed