SCHEMBL3237487

SCHEMBL3237487

NCc1cc2ccccc2oc1=O.[Pb]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
MAOA P21397 2/20 0.56
MAOB P27338 6/20 0.55
LOXL2 Q9Y4K0 1/20 0.55
MMP2 P08253 1/20 0.54
MMP9 P14780 1/20 0.54
ADAM17 P78536 1/20 0.54
TYR P14679 1/20 0.53
DAO P14920 1/20 0.53
AKR1B1 P15121 1/20 0.53
HPGD P15428 1/20 0.53
CA12 O43570 3/20 0.51
CA9 Q16790 3/20 0.51
CA1 P00915 2/20 0.51
CA2 P00918 2/20 0.51
RAB9A P51151 3/20 0.50
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 1/20 0.50
NCOA1 Q15788 1/20 0.49

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
SCHEMBL94133 0.98 POLB (0.59) POLBSMN1; SMN2MAOAMAOBLOXL2
SCHEMBL29934196 0.98 POLB (0.59) POLBSMN1; SMN2MAOAMAOBLOXL2
Butane SCHEMBL20446706 0.92 MAOB (0.62) POLBSMN1; SMN2MAOAMAOBLOXL2
Carbamic Acid SCHEMBL8995121 0.90 MMP2 (0.56) POLBSMN1; SMN2MAOAMAOBLOXL2
Acetic Acid SCHEMBL472753 0.89 MAOB (0.56) POLBSMN1; SMN2MAOAMAOBMMP2
Coumarin SCHEMBL17312324 0.89 CA12 (0.61) POLBSMN1; SMN2MAOAMAOBLOXL2
SCHEMBL30311162 0.84 MMP2 (0.60) POLBSMN1; SMN2MAOAMAOBLOXL2
SCHEMBL5678818 0.84 MAOA (0.52) POLBSMN1; SMN2MAOAMAOBLOXL2
SCHEMBL13612673 0.83 MAOA (0.61) POLBSMN1; SMN2MAOAMAOBMMP2
SCHEMBL27625488 0.83 MMP2 (0.67) POLBSMN1; SMN2MAOAMAOBMMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2236619-A2 BCL2L12 polypeptide activators and inhibitors DANA-FARBER CANCER INSTITUTE, INC. (US) 2010-10-06 EP disclosed
US-7595158-B2 Bcl2L12 polypeptide activators and inhibitors DANA-FARBER CANCER INSTITUTE, INC. (US) 2009-09-29 US disclosed
EP-1618217-A4 BCL2L12 POLYPEPTIDE ACTIVATORS AND INHIBITORS DANA FARBER CANCER INST INC (US) 2008-11-26 EP disclosed
US-20060252053-A1 Bcl2L12 polypeptide activators and inhibitors DANA-FARBER CANCER INSTITUTE, INC. 2006-11-09 US disclosed
EP-1618217-A2 BCL2L12 POLYPEPTIDE ACTIVATORS AND INHIBITORS DANA-FARBER CANCER INSTITUTE, INC. (US) 2006-01-25 EP disclosed
WO-2004096991-A2 BCL2L12 POLYPEPTIDE ACTIVATORS AND INHIBITORS DANA-FARBER CANCER INSTITUTE, INC. (US) 2004-11-11 WO disclosed