SCHEMBL11367336

SCHEMBL11367336

Cc1cc(-n2c(=O)n3n(c2=S)CCCC3)ccc1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.40
MAPT P10636 6/20 0.40
TSHR P16473 3/20 0.40
HPGD P15428 3/20 0.40
LMNA P02545 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALKBH5 Q6P6C2 1/20 0.39
POLB P06746 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.35
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
MAPK1 P28482 2/20 0.34
TP53 P04637 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32

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
SCHEMBL11359619 0.90 ALDH1A1 (0.49) ALDH1A1MAPTTSHRHPGDLMNA
SCHEMBL11366859 0.90 MAPT (0.44) ALDH1A1MAPTTSHRHPGDLMNA
SCHEMBL11361250 0.87 ALDH1A1 (0.43) ALDH1A1MAPTTSHRHPGDLMNA
SCHEMBL11363847 0.84 ALDH1A1 (0.44) ALDH1A1MAPTHPGDLMNASMN1; SMN2
SCHEMBL11361458 0.79 POLB (0.40) ALDH1A1MAPTTSHRHPGDSMN1; SMN2
SCHEMBL11366836 0.79 ALDH1A1 (0.41) ALDH1A1MAPTTSHRHPGDLMNA
SCHEMBL11413626 0.78 ALDH1A1 (0.49) ALDH1A1MAPTTSHRHPGDLMNA
SCHEMBL11369619 0.78 POLB (0.42) ALDH1A1HPGDSMN1; SMN2POLBL3MBTL1
SCHEMBL11361649 0.78 ALDH1A1 (0.43) ALDH1A1MAPTTSHRHPGDLMNA
SCHEMBL11365649 0.77 ALDH1A1 (0.53) ALDH1A1HPGDLMNASMN1; SMN2ALKBH5

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-4249934-A 1,2-Alkylene-4-substituted urazole herbicides MITSUBISHI CHEMICAL INDUSTRIES, LIMITED (JP) 1981-02-10 US disclosed