SCHEMBL9840787

SCHEMBL9840787

CCN(CC)CCO[N]C=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
CYP2D6 P10635 2/20 0.32
LMNA P02545 2/20 0.32
CYP1A2 P05177 1/20 0.32
MAPT P10636 1/20 0.32
CHRNA7 P36544 1/20 0.32
TSHR P16473 1/20 0.32
MAOA P21397 1/20 0.32
HTR3A P46098 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
ALDH1A1 P00352 2/20 0.31
BLM P54132 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CYP3A4 P08684 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
BCHE P06276 1/20 0.30
SCN1A P35498 1/20 0.30
SCN2A Q99250 1/20 0.30

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
SCHEMBL6978506 0.71 MEN1 (0.42) KMT2AMEN1POLBCYP2D6LMNA
SCHEMBL13017470 0.70 POLB (0.45) KMT2AMEN1POLBCYP2D6LMNA
SCHEMBL789797 0.70 KMT2A (0.45) KMT2AMEN1POLBCYP2D6LMNA
Hydrochloric Acid SCHEMBL3205113 0.68 KMT2A (0.43) KMT2AMEN1POLBCYP2D6LMNA
SCHEMBL6958551 0.67 MEN1 (0.38) KMT2AMEN1POLBCYP2D6LMNA
SCHEMBL3267719 0.67 POLB (0.38) KMT2AMEN1POLBCYP2D6LMNA
SCHEMBL2181235 0.65 NPSR1 (0.34) KMT2AMEN1POLBNPSR1
SCHEMBL13307109 0.65 KMT2A (0.41) KMT2AMEN1POLBCYP2D6LMNA
Benzene SCHEMBL28869400 0.65 CYP1A2 (0.42) KMT2AMEN1POLBCYP2D6LMNA
SCHEMBL135077 0.65 MEN1 (0.61) KMT2AMEN1POLBCYP2D6LMNA

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
WO-1991004260-A2 10,11-METHYLENEDIOXY-20(RS)-CAMPTOTHECIN AND 10,11-METHYLENEDIOXY-20(S)-CAMPTOTHECIN ANALOGS RESEARCH TRIANGLE INSTITUTE (US) 1991-04-04 WO disclosed