SCHEMBL8089526

SCHEMBL8089526

CN(C)CCCn1ccnc1.Cc1nccn1C.Cc1nccn1CC(C)C

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
MAPK1 P28482 3/20 0.38
GAA P10253 2/20 0.38
TP53 P04637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KDM4E B2RXH2 3/20 0.38
HTT P42858 3/20 0.38
PRKCI P41743 1/20 0.38
QPCT Q16769 1/20 0.38
KMT2A Q03164 6/20 0.37
LMNA P02545 3/20 0.37
MEN1 O00255 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TBXAS1 P24557 2/20 0.36
MAPT P10636 1/20 0.36
POLB P06746 1/20 0.35
USP2 O75604 1/20 0.35
ALOX15 P16050 1/20 0.35

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
SCHEMBL4239886 0.79 KMT2A (0.49) ALDH1A1KDM4EKMT2ALMNAMEN1
SCHEMBL413786 0.74 TBXAS1 (0.63) PRKCIQPCTKMT2AMEN1TBXAS1
SCHEMBL179780 0.71 KMT2A (0.52) ALDH1A1KDM4EKMT2ALMNAMEN1
SCHEMBL15095689 0.69 TBXAS1 (0.70) PRKCIKMT2AMEN1TBXAS1
Formic Acid SCHEMBL28717145 0.67 TBXAS1 (0.52) PRKCITBXAS1
SCHEMBL12847452 0.66 TBXAS1 (0.55) KDM4EHTTPRKCIQPCTTBXAS1
SCHEMBL19766923 0.66 TBXAS1 (0.63) PRKCIQPCTKMT2AMEN1TBXAS1
SCHEMBL11216301 0.66 KMT2A (0.58) ALDH1A1KMT2ALMNAPOLB
SCHEMBL7915872 0.65 TBXAS1 (0.56) ALDH1A1KDM4EPRKCIKMT2ATBXAS1
Succinic Acid SCHEMBL28712317 0.65 TBXAS1 (0.65) ALDH1A1TBXAS1

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-0451826-B2 Process for producing flexible polyurethane foam having high air flow property TOSOH CORP (JP) 2000-11-15 EP claimed