SCHEMBL11271876

SCHEMBL11271876

CCCCNCCCC.N#CC(=C(O)c1ccccc1Cl)c1nc(-c2ccccc2)cs1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 14/20 0.55
ALDH1A1 P00352 8/20 0.55
POLB P06746 3/20 0.55
MEN1 O00255 9/20 0.54
KMT2A Q03164 9/20 0.54
RAB9A P51151 6/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 4/20 0.45
GAA P10253 1/20 0.45
HTT P42858 3/20 0.42
LMNA P02545 1/20 0.42
HIF1A Q16665 1/20 0.42
CYP1A2 P05177 4/20 0.42
CYP2C19 P33261 4/20 0.42
CYP3A4 P08684 3/20 0.42
CYP2C9 P11712 2/20 0.42
STAT1 P42224 1/20 0.42
USP2 O75604 2/20 0.41
HCRTR1 O43613 1/20 0.41
ALOX15 P16050 1/20 0.41

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
SCHEMBL11278890 0.96 MAPT (0.53) MAPTALDH1A1POLBMEN1KMT2A
Butylamine SCHEMBL11281786 0.89 MEN1 (0.55) MAPTALDH1A1POLBMEN1KMT2A
Dimethylamine SCHEMBL11274153 0.88 MAPT (0.58) MAPTALDH1A1POLBMEN1KMT2A
SCHEMBL8036557 0.87 MAPT (0.63) MAPTALDH1A1POLBMEN1KMT2A
SCHEMBL8036552 0.87 MAPT (0.63) MAPTALDH1A1POLBMEN1KMT2A
SCHEMBL11283130 0.86 MEN1 (0.52) MAPTALDH1A1POLBMEN1KMT2A
Benzylamine SCHEMBL11268188 0.82 MAPT (0.57) MAPTALDH1A1POLBMEN1KMT2A
Pyrrolidine SCHEMBL11276989 0.80 MAPT (0.54) MAPTALDH1A1POLBMEN1KMT2A
Piperidine SCHEMBL11276780 0.79 MAPT (0.53) MAPTALDH1A1POLBMEN1KMT2A
Morpholine SCHEMBL11285437 0.77 MAPT (0.51) MAPTALDH1A1POLBMEN1KMT2A

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-4320125-A Thiazolylidene-oxo-propionitrile salts and insecticidal compositions containing these salts SCHERING AKTIENGESELLSCHAFT (DE) 1982-03-16 US claimed