SCHEMBL877544

SCHEMBL877544

Cc1ccccc1CN1CC(=O)NCC1=O

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.57
MEN1 O00255 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
MAPT P10636 1/20 0.55
P2RX7 Q99572 2/20 0.46
TRPC5 Q9UL62 7/20 0.45
PTGS1 P23219 1/20 0.45
PTGS2 P35354 1/20 0.45
LMNA P02545 1/20 0.42
HRH3 Q9Y5N1 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP2A13 Q16696 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ACHE P22303 1/20 0.39

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
SCHEMBL15973191 0.80 KMT2A (0.58) KMT2AMEN1SMN1; SMN2MAPTP2RX7
SCHEMBL7252823 0.78 GSK3A (0.57) KMT2AMEN1HRH3
SCHEMBL4514612 0.76 GSK3B (0.60) KMT2AMEN1SMN1; SMN2MAPTP2RX7
SCHEMBL20818195 0.76 KMT2A (0.66) KMT2AMEN1SMN1; SMN2MAPTP2RX7
SCHEMBL16085665 0.75 GSK3A (0.54) KMT2AMEN1HRH3
SCHEMBL19231674 0.74 KMT2A (0.46) KMT2AMEN1SMN1; SMN2MAPTP2RX7
SCHEMBL20578249 0.74 KMT2A (0.46) KMT2AMEN1SMN1; SMN2MAPTP2RX7
SCHEMBL3120511 0.74 BCHE (0.52) KMT2AMEN1SMN1; SMN2MAPTLMNA
SCHEMBL4517013 0.73 KMT2A (1.00) KMT2AMEN1SMN1; SMN2MAPTP2RX7
SCHEMBL7179194 0.72 OPRK1 (0.35) KMT2AMEN1SMN1; SMN2MAPTHRH3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2643000-A2 THERAPEUTIC PIPERAZINES Dart Neuroscience (Cayman) Ltd (KY) 2013-10-02 EP disclosed
WO-2012040258-A2 THERAPEUTIC PIPERAZINES HELICON THERAPEUTICS, INC. (US) 2012-03-29 WO disclosed