SCHEMBL11535387

SCHEMBL11535387

CC(C)(C)C(=O)C(c1ccccc1)(c1ccc(-c2ccccc2)cc1)n1cncn1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.41
MAPT P10636 4/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CYP19A1 P11511 4/20 0.38
HSP90AA1 P07900 1/20 0.37
CYP2C9 P11712 1/20 0.36
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
AGTR1 P30556 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PDE4B Q07343 1/20 0.35
RXRA P19793 1/20 0.34
RXRB P28702 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
SCHEMBL11532830 0.93 LMNA (0.50) LMNATSHRMAPTKMT2AMEN1
SCHEMBL11536569 0.93 TSHR (0.51) LMNATSHRMAPTKMT2AMEN1
SCHEMBL11533550 0.91 TSHR (0.44) LMNATSHRMAPTKMT2AMEN1
SCHEMBL11538722 0.88 CYP19A1 (0.47) LMNATSHRMAPTKMT2ACYP19A1
SCHEMBL11539190 0.88 TSHR (0.54) LMNATSHRMAPTKMT2AMEN1
SCHEMBL11533669 0.86 LMNA (0.43) LMNAMAPTKMT2AMEN1ALDH1A1
SCHEMBL11531173 0.86 TSHR (0.46) LMNATSHRMAPTKMT2AMEN1
SCHEMBL11531974 0.86 CYP19A1 (0.42) LMNATSHRMAPTKMT2AMEN1
SCHEMBL11538888 0.86 MAPT (0.47) LMNATSHRMAPTKMT2AMEN1
SCHEMBL11530465 0.85 ALDH1A1 (0.42) LMNAMAPTKMT2AMEN1ALDH1A1

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