SCHEMBL19086854

SCHEMBL19086854

[CH2]c1ncnn1-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
ALDH1A1 P00352 9/20 0.40
KDM4E B2RXH2 3/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
TSHR P16473 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 2/20 0.40
EGFR P00533 1/20 0.40
PI4KA P42356 1/20 0.40
PI4K2B Q8TCG2 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PI4K2A Q9BTU6 1/20 0.40
PI4KB Q9UBF8 1/20 0.40
NPC1 O15118 6/20 0.38
RAB9A P51151 6/20 0.38
MAPT P10636 5/20 0.38
NPSR1 Q6W5P4 3/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37

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
SCHEMBL20280414 0.74 ALDH1A1 (0.43) POLBALDH1A1KDM4EKMT2AMEN1
SCHEMBL533863 0.74 POLB (0.41) POLBALDH1A1KDM4EKMT2AMEN1
SCHEMBL10166462 0.74 MAPK1 (0.41) POLBALDH1A1KDM4EKMT2AMEN1
SCHEMBL11316957 0.74 POLB (0.50) POLBALDH1A1KDM4EKMT2AMEN1
SCHEMBL7045196 0.72 SMN1; SMN2 (0.43) POLBALDH1A1KDM4EKMT2AMEN1
SCHEMBL20033929 0.71 ALDH1A1 (0.45) POLBALDH1A1KDM4EKMT2AMEN1
SCHEMBL25778528 0.69 ALDH1A1 (0.47) POLBALDH1A1KMT2AMEN1CYP1A2
SCHEMBL21863405 0.69 ALDH1A1 (0.46) POLBALDH1A1KDM4EKMT2AMEN1
SCHEMBL6057637 0.69 ALDH1A1 (0.47) ALDH1A1KDM4EKMT2AMEN1TSHR
SCHEMBL27856470 0.69 POLB (0.41) POLBALDH1A1KDM4EKMT2AMEN1

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
EP-2999338-B1 KNOWN AND NOVEL HETEROCYCLIC COMPOUNDS AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2017-07-12 EP disclosed