SCHEMBL8867463

SCHEMBL8867463

[O]CC=Cc1cccc(NC(=O)NN2CCOCC2)c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
NPC1 O15118 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
RAB9A P51151 1/20 0.47
EPHX2 P34913 3/20 0.41
ALDH1A1 P00352 3/20 0.40
HTT P42858 3/20 0.40
CDK5 Q00535 4/20 0.40
CDK5R1 Q15078 4/20 0.40
CCNA2 P20248 3/20 0.40
CDK2 P24941 3/20 0.40
CCNA1 P78396 3/20 0.40
HPGD P15428 2/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
TP53 P04637 1/20 0.40

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
SCHEMBL8867455 1.00 KMT2A (0.50) KMT2AMEN1NPC1SMN1; SMN2RAB9A
SCHEMBL8867470 0.91 KMT2A (0.50) KMT2AMEN1NPC1SMN1; SMN2RAB9A
SCHEMBL8868076 0.83 NPC1 (0.58) KMT2AMEN1NPC1SMN1; SMN2RAB9A
SCHEMBL8868083 0.83 NPC1 (0.58) KMT2AMEN1NPC1SMN1; SMN2RAB9A
SCHEMBL8867288 0.77 MAOB (0.53) KMT2AMEN1NPC1SMN1; SMN2RAB9A
SCHEMBL8867284 0.77 MAOB (0.53) KMT2AMEN1NPC1SMN1; SMN2RAB9A
SCHEMBL8867761 0.76 ALDH1A1 (0.49) KMT2AMEN1ALDH1A1HTTLMNA
SCHEMBL8867757 0.76 ALDH1A1 (0.49) KMT2AMEN1ALDH1A1HTTLMNA
SCHEMBL8867679 0.76 MAOB (0.46) KMT2AMEN1ALDH1A1MAPT
SCHEMBL8867682 0.76 MAOB (0.46) KMT2AMEN1ALDH1A1MAPT

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-5686484-A ANTHELMINTICS, ACARICIDES, INSECTICIDES SANKYO CO., LTD. (JP) 1997-11-11 US disclosed