SCHEMBL11534655

SCHEMBL11534655

CCC(C)C(c1ccccc1)(c1ccccc1)n1cncn1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.41
CYP19A1 P11511 7/20 0.40
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
KIF11 P52732 1/20 0.33
KCNN4 O15554 1/20 0.33
CYP17A1 P05093 1/20 0.32
ALDH1A1 P00352 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
HSD17B10 Q99714 1/20 0.31
GRIN1 Q05586 3/20 0.31
GRIN2A Q12879 3/20 0.31
GRIN2D O15399 2/20 0.31
GRIN2B Q13224 2/20 0.31
GRIN2C Q14957 2/20 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
SCHEMBL11533728 0.92 CYP19A1 (0.38) HSP90AA1CYP19A1LMNAMAPTKMT2A
SCHEMBL11536075 0.92 TSHR (0.38) HSP90AA1CYP19A1MEN1KMT2AALDH1A1
SCHEMBL11531851 0.88 HSP90AA1 (0.35) HSP90AA1CYP19A1LMNAMAPTMEN1
SCHEMBL11531946 0.84 HSP90AA1 (0.41) HSP90AA1CYP19A1LMNAMAPTMEN1
SCHEMBL11533864 0.84 MEN1 (0.37) HSP90AA1CYP19A1LMNAMAPTMEN1
SCHEMBL11532244 0.74 CYP19A1 (0.66) HSP90AA1CYP19A1LMNAMAPT
SCHEMBL11540161 0.73 MAPT (0.41) HSP90AA1CYP19A1LMNAMAPTMEN1
SCHEMBL11533590 0.72 CYP19A1 (0.51) HSP90AA1CYP19A1LMNAMAPTCYP2D6
SCHEMBL11532322 0.72 CYP19A1 (0.63) HSP90AA1CYP19A1LMNAMAPTMEN1
SCHEMBL1563373 0.71 HSP90AA1 (0.47) HSP90AA1CYP19A1LMNAMAPTMEN1

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