SCHEMBL6566816

SCHEMBL6566816

O=C(COc1ccccc1)Nc1cc(Cl)c(O)c(Cl)c1

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.69
NPC1 O15118 6/20 0.67
RAB9A P51151 4/20 0.67
L3MBTL1 Q9Y468 1/20 0.60
LMNA P02545 1/20 0.58
MAPK1 P28482 1/20 0.58
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
MAPT P10636 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.56

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
SCHEMBL30463822 0.83 NPC1 (0.78) POLBNPC1RAB9AL3MBTL1MAPK1
SCHEMBL11313646 0.82 POLB (0.72) POLBNPC1RAB9AL3MBTL1LMNA
SCHEMBL31503975 0.81 LMNA (0.78) POLBNPC1RAB9ALMNAMAPK1
SCHEMBL3498895 0.81 LMNA (0.78) NPC1RAB9ALMNAMAPK1MEN1
SCHEMBL11309805 0.79 NPC1 (0.72) POLBNPC1RAB9AL3MBTL1LMNA
SCHEMBL5645175 0.78 LMNA (0.69) POLBNPC1RAB9ALMNAMAPK1
SCHEMBL27541541 0.77 ALOX15 (0.65) NPC1RAB9AL3MBTL1LMNAMEN1
SCHEMBL4345396 0.77 POLB (0.63) POLBNPC1LMNAMEN1KMT2A
SCHEMBL4347822 0.77 KMT2A (0.68) POLBRAB9AL3MBTL1LMNAMEN1
SCHEMBL9400403 0.76 NPC1 (0.61) POLBNPC1RAB9AL3MBTL1MAPK1

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