SCHEMBL13102475

SCHEMBL13102475

CC(CC(=O)n1ccnc1)C(=O)n1ccnc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 4/20 0.38
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 2/20 0.33
EGLN3 Q9H6Z9 1/20 0.33
AHR P35869 1/20 0.32
FAAH O00519 1/20 0.32
MGLL Q99685 1/20 0.32
HMOX2 P30519 1/20 0.32
FDPS P14324 1/20 0.31

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
SCHEMBL13102843 0.86 ALDH1A1 (0.42) TBXAS1KDM4EALDH1A1EGLN3FAAH
SCHEMBL13102757 0.86 TBXAS1 (0.48) TBXAS1KDM4EALDH1A1EGLN3FAAH
SCHEMBL25635684 0.84 TBXAS1 (0.37) TBXAS1KDM4EALDH1A1KMT2AEGLN3
SCHEMBL18775172 0.82 TBXAS1 (0.40) TBXAS1KDM4EALDH1A1EGLN3AHR
SCHEMBL13587345 0.82 TBXAS1 (0.40) TBXAS1KDM4EALDH1A1EGLN3AHR
SCHEMBL10020850 0.82 KMT2A (0.41) TBXAS1KDM4EALDH1A1KMT2AAHR
SCHEMBL27797925 0.81 TBXAS1 (0.38) TBXAS1KDM4EALDH1A1KMT2AEGLN3
SCHEMBL15730995 0.79 TBXAS1 (0.35) TBXAS1KDM4EALDH1A1KMT2AEGLN3
SCHEMBL4211623 0.79 TBXAS1 (0.35) TBXAS1KDM4EALDH1A1KMT2AEGLN3
SCHEMBL30935536 0.79 KDM4E (0.38) TBXAS1KDM4EALDH1A1KMT2AEGLN3

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
US-20100273116-A1 SILVER HALIDE PHOTOSENSITIVE MATERIAL FUJIFILM CORPORATION (JP) 2010-10-28 US disclosed