SCHEMBL11533166

SCHEMBL11533166

CC(c1ccccc1)(c1ccc(-c2ccccc2)cc1)n1cncn1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 8/20 0.59
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
LMNA P02545 2/20 0.41
HSP90AA1 P07900 2/20 0.40
MAPT P10636 3/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 2/20 0.37
HPGD P15428 1/20 0.37
KIF11 P52732 2/20 0.37
CYP17A1 P05093 1/20 0.36
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL11532322 0.92 CYP19A1 (0.63) CYP19A1MEN1KMT2ATDP1LMNA
SCHEMBL11534144 0.91 CYP19A1 (0.54) CYP19A1MEN1KMT2ATDP1LMNA
SCHEMBL11533125 0.86 CYP19A1 (0.57) CYP19A1KMT2ALMNAHSP90AA1CYP17A1
SCHEMBL11534485 0.84 CYP19A1 (0.42) CYP19A1MEN1KMT2ATDP1LMNA
SCHEMBL11536149 0.83 CYP19A1 (0.55) CYP19A1TDP1LMNAHSP90AA1MAPT
SCHEMBL11537084 0.83 CYP19A1 (0.55) CYP19A1MEN1KMT2ATDP1LMNA
SCHEMBL11535619 0.83 CYP19A1 (0.55) CYP19A1MEN1KMT2ATDP1LMNA
SCHEMBL11534672 0.79 CYP19A1 (0.50) CYP19A1LMNAHSP90AA1MAPTKDM4E
SCHEMBL11535387 0.79 LMNA (0.44) CYP19A1MEN1KMT2ATDP1LMNA
SCHEMBL11535433 0.78 CYP19A1 (0.49) CYP19A1MEN1KMT2ATDP1LMNA

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