SCHEMBL8520034

SCHEMBL8520034

CC(C(=O)O)N1C=CCN(c2ccccc2)C1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.40
NPC1 O15118 4/20 0.40
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
KDM4E B2RXH2 2/20 0.38
USP5 P45974 1/20 0.37
TP53 P04637 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 2/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
PGR P06401 1/20 0.36
CYP3A4 P08684 1/20 0.36
GAA P10253 1/20 0.36
PKM P14618 1/20 0.36
NFKB1 P19838 1/20 0.36
DRD1 P21728 1/20 0.36
HTT P42858 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36

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
SCHEMBL8411315 0.71 MEN1 (0.56) RAB9ANPC1KMT2AMEN1KDM4E
SCHEMBL909202 0.69 NPC1 (0.48) RAB9ANPC1KMT2AMEN1KDM4E
SCHEMBL8520030 0.69 MEN1 (0.49) RAB9ANPC1KMT2AMEN1KDM4E
SCHEMBL11114878 0.64 MEN1 (0.42) RAB9ANPC1KMT2AMEN1CYP3A4
SCHEMBL5909835 0.63 CTSG (0.49) KMT2AMEN1KDM4ESMN1; SMN2CYP2C19
SCHEMBL7287735 0.62 SMN1; SMN2 (0.39) RAB9AKMT2AMEN1SMN1; SMN2LMNA
SCHEMBL9006342 0.62 RAD52 (0.52) KMT2AMEN1KDM4ELMNACYP2C19
SCHEMBL921684 0.62 NPC1 (0.51) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL1111106 0.61 MEN1 (0.50) RAB9ANPC1KMT2AMEN1KDM4E
SCHEMBL7062412 0.60 DPP4 (0.36) KMT2AMEN1CYP3A4

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-0932598-A1 ASPARTATE ESTER INHIBITORS OF INTERLEUKIN-1$g(b) CONVERTING ENZYME WARNER-LAMBERT COMPANY (US) 1999-08-04 EP disclosed
WO-1998016502-A1 ASPARTATE ESTER INHIBITORS OF INTERLEUKIN-1β CONVERTING ENZYME WARNER-LAMBERT COMPANY (US) 1998-04-23 WO disclosed