SCHEMBL4080108

SCHEMBL4080108

CN1CCN(c2nc(-c3ccc(Br)cc3)cs2)C1=O.O=C1NCCN1c1nc(-c2ccc(Br)cc2)cs1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 9/20 0.47
RAB9A P51151 8/20 0.47
CA1 P00915 1/20 0.46
MAPT P10636 7/20 0.46
MEN1 O00255 6/20 0.46
KMT2A Q03164 6/20 0.46
NPC1 O15118 5/20 0.46
MAPK1 P28482 2/20 0.46
LMNA P02545 2/20 0.46
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP2D6 P10635 1/20 0.42
HPGD P15428 1/20 0.40
ESR1 P03372 1/20 0.39
HTT P42858 1/20 0.39
POLB P06746 1/20 0.38
USP30 Q70CQ3 1/20 0.38
CDK5 Q00535 1/20 0.38

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
SCHEMBL3524975 0.91 SMN1; SMN2 (0.56) SMN1; SMN2RAB9ACA1MAPTMEN1
SCHEMBL3527455 0.90 SMN1; SMN2 (0.57) SMN1; SMN2RAB9ACA1MAPTMEN1
SCHEMBL4079438 0.69 RAB9A (0.60) SMN1; SMN2RAB9ACA1MAPTMEN1
SCHEMBL2556201 0.68 RAB9A (0.74) SMN1; SMN2RAB9AMAPTMEN1KMT2A
SCHEMBL3863110 0.68 RAB9A (0.57) SMN1; SMN2RAB9ACA1MAPTMEN1
SCHEMBL244380 0.67 L3MBTL1 (0.58) SMN1; SMN2RAB9AMEN1KMT2ANPC1
SCHEMBL4075394 0.67 SMN1; SMN2 (0.53) SMN1; SMN2RAB9ACA1MAPTMEN1
SCHEMBL19297530 0.67 RAB9A (0.45) RAB9AMEN1KMT2ANPC1LMNA
SCHEMBL3863210 0.66 CA1 (0.49) SMN1; SMN2RAB9ACA1MAPTMEN1
SCHEMBL12288921 0.65 RAB9A (1.00) SMN1; SMN2RAB9AMAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2054410-A2 OXAZOLIDONE DERIVATIVES AS PR MODULATORS Wyeth (US) 2009-05-06 EP disclosed
WO-2008021309-A1 IMIDAZOLIDIN-2-ONE DERIVATIVES USEFUL AS PR MODULATORS WYETH (US) 2008-02-21 WO disclosed
WO-2008021331-A2 OXAZOLIDONE DERIVATIVES AS PR MODULATORS WYETH (US) 2008-02-21 WO disclosed