SCHEMBL23401166

SCHEMBL23401166

Cc1ccccc1-n1[nH]c(-c2ccccc2)c(-c2ccccc2)c1=O

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.50
ALKBH3 Q96Q83 2/20 0.50
ALOX15 P16050 1/20 0.50
KDM4E B2RXH2 5/20 0.43
SLC11A2 P49281 4/20 0.43
MAPT P10636 6/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
MAT2A P31153 2/20 0.43
HTT P42858 2/20 0.43
LMNA P02545 1/20 0.41
MGLL Q99685 1/20 0.39
JAK1 P23458 1/20 0.38
TYK2 P29597 1/20 0.38
JAK3 P52333 1/20 0.38

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
SCHEMBL23401821 0.94 ALKBH3 (0.52) GAAALKBH3ALOX15KDM4ESLC11A2
SCHEMBL23400986 0.94 ALKBH3 (0.52) GAAALKBH3ALOX15KDM4ESLC11A2
SCHEMBL23398446 0.91 ALKBH3 (0.48) GAAALKBH3ALOX15KDM4ESLC11A2
SCHEMBL23399857 0.90 GAA (0.47) GAAALKBH3ALOX15KDM4ESLC11A2
SCHEMBL23399948 0.89 ALKBH3 (0.50) GAAALKBH3ALOX15KDM4ESLC11A2
SCHEMBL23401211 0.86 GAA (0.69) GAAALKBH3ALOX15KDM4ESLC11A2
SCHEMBL23400710 0.86 ALKBH3 (0.49) GAAALKBH3ALOX15KDM4EMAPT
SCHEMBL23401701 0.84 ALKBH3 (0.48) GAAALKBH3ALOX15KDM4ESLC11A2
SCHEMBL23400068 0.81 NOX4 (0.48) GAAALKBH3ALOX15KDM4EMAPT
SCHEMBL23403304 0.81 KDM4E (0.55) GAAALOX15KDM4ESLC11A2MAPT

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-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 EP disclosed