SCHEMBL6487250

SCHEMBL6487250

O=S1(=O)CCN(CCCNNCCN2CCS(=O)(=O)CC2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.33
ACE2 Q9BYF1 1/20 0.33
MEN1 O00255 1/20 0.33
HPGD P15428 2/20 0.33
TP53 P04637 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
USP2 O75604 1/20 0.32
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
GAA P10253 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
DUSP3 P51452 1/20 0.31
CARM1 Q86X55 1/20 0.30
PRMT6 Q96LA8 1/20 0.30
PRMT8 Q9NR22 1/20 0.30
LMNA P02545 2/20 0.30
KDM4E B2RXH2 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
SCHEMBL17207595 0.80 CARM1 (0.43) KMT2AMEN1HPGDTP53SMN1; SMN2
SCHEMBL12465581 0.79 ACE2 (0.48) KMT2AACE2MEN1CNR1CNR2
SCHEMBL1307987 0.77 ADH1B (0.38) KMT2AACE2MEN1HPGDTP53
SCHEMBL22294037 0.77 CYP2C19 (0.38) KMT2AACE2MEN1HPGDTP53
SCHEMBL1307984 0.77 TP53 (0.34) KMT2AACE2MEN1HPGDTP53
SCHEMBL14701565 0.76 TP53 (0.40) KMT2AMEN1HPGDTP53SMN1; SMN2
SCHEMBL10177623 0.75 CARM1 (0.58) KMT2AMEN1NPC1ALDH1A1CARM1
SCHEMBL17057349 0.74 CARM1 (0.42) KMT2AMEN1HPGDTP53SMN1; SMN2
SCHEMBL12551015 0.74 ACE2 (0.67) KMT2AACE2MEN1TP53SMN1; SMN2
SCHEMBL19955066 0.74 SMN1; SMN2 (0.46) KMT2ATP53SMN1; SMN2USP2GAA

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-6939866-B2 Quinazoline derivatives ASTRAZENECA AB (SE) 2005-09-06 US disclosed