SCHEMBL11530455

SCHEMBL11530455

CCCC(=O)C(c1ccccc1)(c1ccc(Cl)cc1)n1cnnc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 1/20 0.37
SMN1; SMN2 Q16637 4/20 0.36
KIF11 P52732 1/20 0.36
MIF P14174 1/20 0.36
KMT2A Q03164 5/20 0.35
MEN1 O00255 3/20 0.35
L3MBTL1 Q9Y468 3/20 0.34
XBP1 P17861 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MAPT P10636 2/20 0.34
TP53 P04637 1/20 0.34
GAA P10253 1/20 0.34
POLB P06746 1/20 0.33
HSD11B1 P28845 2/20 0.33
AKR1B10 O60218 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRB2 P47870 1/20 0.33

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
SCHEMBL11532194 0.89 BCL2 (0.39) BCL2KIF11MIFKMT2AMEN1
SCHEMBL11532022 0.85 KMT2A (0.40) BCL2KIF11MIFKMT2AMEN1
SCHEMBL11533473 0.81 CES1 (0.42) BCL2SMN1; SMN2KIF11KMT2AMEN1
SCHEMBL11532523 0.80 TSHR (0.43) BCL2SMN1; SMN2KMT2AL3MBTL1HTT
SCHEMBL11535581 0.80 OPRM1 (0.44) SMN1; SMN2KMT2AMEN1L3MBTL1HTT
SCHEMBL11531704 0.80 KMT2A (0.38) BCL2SMN1; SMN2KIF11MIFKMT2A
SCHEMBL11530653 0.79 CES1 (0.43) KMT2AMEN1L3MBTL1HTTMAPT
SCHEMBL11533371 0.75 SMN1; SMN2 (0.38) SMN1; SMN2KMT2ANPSR1MAPTPOLB
SCHEMBL11535559 0.73 KIF11 (0.40) BCL2SMN1; SMN2KIF11KMT2AMEN1
SCHEMBL11533167 0.73 CYP19A1 (0.38) BCL2SMN1; SMN2KIF11KMT2AMEN1

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