SCHEMBL11845929

SCHEMBL11845929

CC(C)(C)C(=O)C(Br)Oc1cc(Cl)c(Cl)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.39
TSHR P16473 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
RORC P51449 4/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
NR1I2 O75469 1/20 0.34
PPOX P50336 1/20 0.34
MAPK1 P28482 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
GAA P10253 1/20 0.32
CYP2C19 P33261 1/20 0.32
ALDH1A1 P00352 1/20 0.31
POLB P06746 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
SCHEMBL11398917 0.84 LMNA (0.39) LMNATSHRTDP1L3MBTL1MEN1
SCHEMBL11511837 0.83 SMN1; SMN2 (0.51) LMNATSHRTDP1L3MBTL1MEN1
SCHEMBL11512850 0.83 GAA (0.41) LMNATSHRMEN1KMT2ASMN1; SMN2
SCHEMBL11536701 0.80 TSHR (0.37) LMNATSHRTDP1L3MBTL1MEN1
SCHEMBL11282098 0.80 TSHR (0.37) LMNATSHRTDP1L3MBTL1MEN1
SCHEMBL11809480 0.78 LMNA (0.41) LMNATSHRTDP1L3MBTL1RORC
SCHEMBL11513706 0.77 CA1 (0.33) MEN1KMT2ASMN1; SMN2
SCHEMBL11560424 0.76 KMT2A (0.40) TSHRL3MBTL1MEN1KMT2AMAPK1
SCHEMBL11513946 0.75 TSHR (0.56) LMNATSHRTDP1MEN1KMT2A
SCHEMBL11513046 0.73 POLB (0.39) LMNATSHRL3MBTL1MEN1KMT2A

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-3972891-A FUNGICIDE BAYER AKTIENGESELLSCHAFT (DT) 1976-08-03 US disclosed