SCHEMBL11769205

SCHEMBL11769205

BrCCC=P(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.36
TSHR P16473 3/20 0.34
ALOX15 P16050 1/20 0.34
ALDH1A1 P00352 3/20 0.33
HSP90AA1 P07900 1/20 0.33
TRPA1 O75762 1/20 0.33
AOX1 Q06278 1/20 0.33
CFTR P13569 1/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
NPSR1 Q6W5P4 2/20 0.32
GAA P10253 3/20 0.31
MAPT P10636 1/20 0.31
ALPG P10696 1/20 0.31
ALOX12 P18054 1/20 0.31
NPY1R P25929 1/20 0.31
HTT P42858 1/20 0.31
NPY2R P49146 1/20 0.31
CA2 P00918 1/20 0.31
CA4 P22748 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
Bromide SCHEMBL11501984 0.79 ALDH1A1 (0.35) TDP1TSHRALOX15ALDH1A1HSP90AA1
SCHEMBL7523648 0.79 GAA (0.45) TDP1TSHRALOX15ALDH1A1HSP90AA1
SCHEMBL808497 0.79 MEN1 (0.41) TSHRALDH1A1HSP90AA1AOX1MEN1
SCHEMBL4821584 0.76 MEN1 (0.42) TSHRALDH1A1AOX1MEN1KMT2A
SCHEMBL9802194 0.76 AOX1 (0.47) TSHRALOX15ALDH1A1HSP90AA1AOX1
SCHEMBL15187709 0.76 ALDH1A1 (0.41) TDP1ALOX15ALDH1A1ALOX12CA2
SCHEMBL18121489 0.74 CYP3A4 (0.33) TSHRALDH1A1HSP90AA1AOX1CFTR
SCHEMBL19634601 0.74 HTT (0.44) TSHRALDH1A1HSP90AA1AOX1CFTR
SCHEMBL8987951 0.74 MEN1 (0.41) MEN1KMT2ANPSR1L3MBTL1PKM
SCHEMBL808442 0.73 MEN1 (0.39) TSHRALDH1A1HSP90AA1AOX1CFTR

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-4064258-A Thiazole cardiovascular agents SYNTEX (U.S.A.) INC. (US) 1977-12-20 US disclosed