SCHEMBL9875462

SCHEMBL9875462

COc1cc(C(=O)NCC(C)(C)N)cc(OC)c1OC

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.61
MEN1 O00255 2/20 0.61
MAPK1 P28482 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
TDP1 Q9NUW8 1/20 0.53
POLB P06746 1/20 0.53
SLC6A5 Q9Y345 1/20 0.53
HTT P42858 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
BRD4 O60885 2/20 0.52
NPC1 O15118 1/20 0.51
USP2 O75604 1/20 0.50
TP53 P04637 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50

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
SCHEMBL8947318 0.80 KMT2A (0.67) KMT2AMEN1MAPK1SMN1; SMN2TDP1
SCHEMBL4147862 0.79 KMT2A (0.71) KMT2AMEN1MAPK1SMN1; SMN2TDP1
SCHEMBL8599574 0.79 KMT2A (0.71) KMT2AMEN1MAPK1SMN1; SMN2TDP1
SCHEMBL2451128 0.79 ALDH1A1 (0.66) KMT2AMEN1MAPK1SMN1; SMN2TDP1
SCHEMBL16232794 0.78 KMT2A (0.69) KMT2AMEN1MAPK1SMN1; SMN2TDP1
SCHEMBL13922753 0.78 KMT2A (0.69) KMT2AMEN1MAPK1SMN1; SMN2TDP1
SCHEMBL7952955 0.78 KMT2A (0.69) KMT2AMEN1MAPK1SMN1; SMN2TDP1
SCHEMBL11373983 0.78 KMT2A (0.69) KMT2AMEN1MAPK1SMN1; SMN2TDP1
SCHEMBL9543614 0.76 MEN1 (0.67) KMT2AMEN1MAPK1SMN1; SMN2TDP1
SCHEMBL2926341 0.76 KMT2A (0.77) KMT2AMEN1MAPK1SMN1; SMN2POLB

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-4983606-A Pharmaceutically-active phthalazine compounds ZAMBON GROUP S.P.A. (IT) 1991-01-08 US disclosed