SCHEMBL11534368

SCHEMBL11534368

CC(C)C(=O)C(c1ccccc1)(c1ccccc1)n1cncn1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.45
MAPT P10636 1/20 0.42
HSP90AA1 P07900 2/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
CYP19A1 P11511 4/20 0.36
CYP1A2 P05177 2/20 0.35
CYP2D6 P10635 2/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
CYP26A1 O43174 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
FAAH O00519 1/20 0.34
MGLL Q99685 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL11540161 0.86 MAPT (0.41) LMNAMAPTHSP90AA1KMT2AMEN1
SCHEMBL11532706 0.83 LMNA (0.49) LMNAMAPTHSP90AA1KMT2AMEN1
SCHEMBL11534227 0.82 LMNA (0.47) LMNAMAPTHSP90AA1CYP19A1CYP1A2
SCHEMBL11532830 0.81 LMNA (0.50) LMNAMAPTHSP90AA1KMT2AMEN1
SCHEMBL11532813 0.80 TSHR (0.44) LMNAMAPTHSP90AA1KMT2AMEN1
SCHEMBL11531549 0.80 CYP19A1 (0.41) LMNAMAPTHSP90AA1KMT2AMEN1
SCHEMBL11531767 0.79 LMNA (0.45) LMNAMAPTHSP90AA1KMT2AMEN1
SCHEMBL11536527 0.77 LMNA (0.43) LMNAMAPTHSP90AA1KMT2AMEN1
SCHEMBL11533669 0.77 LMNA (0.43) LMNAMAPTHSP90AA1KMT2AMEN1
SCHEMBL11538217 0.77 MAPT (0.37) LMNAMAPTHSP90AA1KMT2AMEN1

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-4140782-A Combating fungi and nematodes with diphenyl-triazolyl-methanes BAYER AKTIENGESELLSCHAFT (DE) 1979-02-20 US disclosed