SCHEMBL2927558

SCHEMBL2927558

CCCCn1cc2nc3ccccc3c-2cc1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.49
CA1 P00915 3/20 0.49
CA2 P00918 3/20 0.49
CA9 Q16790 3/20 0.49
KDM4E B2RXH2 4/20 0.46
ALDH1A1 P00352 3/20 0.46
HPGD P15428 1/20 0.46
DHODH Q02127 2/20 0.46
CNR2 P34972 3/20 0.45
MAOA P21397 1/20 0.45
TLR8 Q9NR97 5/20 0.44
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
PKM P14618 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL5556096 0.72 GRM2 (0.50) KDM4EALDH1A1MAOA
SCHEMBL27811117 0.71 CA12 (0.65) CA12CA1CA2CA9KDM4E
SCHEMBL783152 0.69 TYR (0.41) CA12CA1CA2CA9KDM4E
SCHEMBL1606849 0.69 CNR2 (0.42) CA12CA1CA2CA9KDM4E
SCHEMBL27848702 0.68 MEN1 (0.42) KDM4EALDH1A1HPGDDHODHMAOA
SCHEMBL11444894 0.67 CNR2 (0.73) CNR2
SCHEMBL7347589 0.66 CNR2 (0.69) KDM4EALDH1A1CNR2HSD17B10
SCHEMBL27811234 0.66 MAPT (0.44) CA12CA1CA2CA9KDM4E
SCHEMBL15625751 0.66 CA12 (0.53) CA12CA1CA2CA9KDM4E
SCHEMBL15625725 0.65 CNR2 (0.52) CA12CA1CA2CA9KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2230312-A1 Probe compound for detecting and isolating enzymes and means and methods using the same Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2010-09-22 EP disclosed