SCHEMBL17636013

SCHEMBL17636013

CCCCCCCCCCCCCCCCN[C@H](CN1CCOCC1)[C@H](O)c1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 13/20 0.70
MEN1 O00255 12/20 0.70
UGCG Q16739 3/20 0.70
TP53 P04637 2/20 0.70
MAPT P10636 2/20 0.70
CYP3A4 P08684 1/20 0.70
CYP2D6 P10635 1/20 0.70
CYP2C9 P11712 1/20 0.70
NFKB1 P19838 1/20 0.70
MAPK1 P28482 1/20 0.70
CYP2C19 P33261 1/20 0.70
HIF1A Q16665 1/20 0.70
MTOR P42345 1/20 0.70
LMNA P02545 2/20 0.69
SMN1; SMN2 Q16637 2/20 0.69
GMNN O75496 1/20 0.69
BLM P54132 1/20 0.69
PMP22 Q01453 1/20 0.69
NPSR1 Q6W5P4 1/20 0.69
ATM Q13315 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
SCHEMBL5075622 1.00 KMT2A (0.70) KMT2AMEN1UGCGTP53MAPT
SCHEMBL857438 0.99 KMT2A (0.68) KMT2AMEN1UGCGTP53MAPT
SCHEMBL7683399 0.90 UGCG (0.69) KMT2AMEN1UGCGTP53MAPT
SCHEMBL12000798 0.82 UGCG (1.00) KMT2AMEN1UGCGTP53MAPT
SCHEMBL137622 0.82 UGCG (1.00) KMT2AMEN1UGCGTP53MAPT
SCHEMBL23845860 0.82 UGCG (1.00) KMT2AMEN1UGCGTP53MAPT
SCHEMBL723342 0.82 UGCG (1.00) KMT2AMEN1UGCGTP53MAPT
SCHEMBL13460643 0.82 UGCG (1.00) KMT2AMEN1UGCGTP53MAPT
SCHEMBL14304968 0.82 UGCG (1.00) KMT2AMEN1UGCGTP53MAPT
SCHEMBL295573 0.82 UGCG (1.00) KMT2AMEN1UGCGTP53MAPT

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-2349255-B1 2-ACYLAMINOPROPOANOL-TYPE GLUCOSYLCERAMIDE SYNTHASE INHIBITORS GENZYME CORP (US) 2016-03-30 EP disclosed