SCHEMBL7319045

SCHEMBL7319045

COc1cc(C(=O)NCCN(C)C)cc(OC)c1OC

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.70
MEN1 O00255 2/20 0.70
SMN1; SMN2 Q16637 3/20 0.60
MAPK1 P28482 2/20 0.60
POLB P06746 1/20 0.60
LMNA P02545 1/20 0.60
DRD2 P14416 1/20 0.60
ACHE P22303 1/20 0.60
SLC6A2 P23975 1/20 0.60
CYP2C19 P33261 1/20 0.60
DRD3 P35462 1/20 0.60
KCNH2 Q12809 1/20 0.60
RXFP1 Q9HBX9 1/20 0.58
BRD4 O60885 2/20 0.58
NPC1 O15118 1/20 0.58
TP53 P04637 1/20 0.56
SLC29A1 Q99808 1/20 0.55

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
Hydrochloric Acid SCHEMBL7323563 0.98 KMT2A (0.68) KMT2AMEN1SMN1; SMN2MAPK1POLB
SCHEMBL24162893 0.88 MEN1 (0.58) KMT2AMEN1SMN1; SMN2MAPK1POLB
SCHEMBL28686671 0.84 LMNA (0.59) KMT2AMEN1SMN1; SMN2MAPK1LMNA
SCHEMBL10790461 0.83 KMT2A (0.77) KMT2AMEN1SMN1; SMN2MAPK1POLB
SCHEMBL2926341 0.83 KMT2A (0.77) KMT2AMEN1SMN1; SMN2MAPK1POLB
SCHEMBL7945842 0.81 KMT2A (0.74) KMT2AMEN1SMN1; SMN2MAPK1POLB
SCHEMBL20094150 0.81 SMN1; SMN2 (0.55) KMT2AMEN1SMN1; SMN2POLBDRD2
SCHEMBL11639395 0.81 ALDH1A1 (0.61) KMT2AMEN1SMN1; SMN2LMNABRD4
SCHEMBL15656703 0.80 ALDH1A1 (0.52) KMT2AMEN1SMN1; SMN2POLBLMNA
SCHEMBL1559022 0.80 ALDH1A1 (0.52) KMT2AMEN1SMN1; SMN2POLBDRD2

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-0293925-A2 Compound active in cardiovascular therapy SIMES, SOCIETA ITALIANA MEDICINALI E SINTETICI, S.P.A. (IT) 1988-12-07 EP disclosed