SCHEMBL5159113

SCHEMBL5159113

CC(C)(C)C1CCC(C(=O)O)CC1.Cc1ccc(N)cc1Cc1nc(-c2cccnc2)cs1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCP P55072 3/20 0.40
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
GAA P10253 1/20 0.36
CYP19A1 P11511 2/20 0.36
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
ABL1 P00519 1/20 0.35
BCR P11274 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KIT P10721 1/20 0.35
S1PR5 Q9H228 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL5159101 0.90 VCP (0.39) VCPKMT2AMEN1NPC1RAB9A
SCHEMBL5001904 0.84 RAB9A (0.48) KMT2AMEN1NPC1RAB9ACASP3
SCHEMBL5159104 0.84 DYRK1A (0.45) KMT2AMEN1NPC1RAB9ACASP3
SCHEMBL5001897 0.75 RAB9A (0.47) KMT2AMEN1NPC1RAB9ACASP3
SCHEMBL716174 0.73 KDM4E (0.54) KMT2AMEN1NPC1RAB9ACASP3
SCHEMBL720660 0.69 NPC1 (0.44) KMT2AMEN1NPC1RAB9ACASP3
SCHEMBL714193 0.68 GAA (0.58) VCPKMT2AMEN1NPC1RAB9A
SCHEMBL716307 0.67 KDM4E (0.52) KMT2AMEN1NPC1RAB9ACASP3
SCHEMBL718339 0.67 RAB9A (0.44) KMT2AMEN1NPC1RAB9ACASP3
SCHEMBL6269851 0.67 CYP19A1 (0.49) KMT2AMEN1NPC1RAB9ACASP3

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-1746990-A1 USE OF MAST CELLS INHIBITORS FOR TREATING PATIENTS EXPOSED TO CHEMICAL OR BIOLOGICAL WEAPONS AB Science (FR) 2007-01-31 EP disclosed
WO-2005112920-A1 USE OF MAST CELLS INHIBITORS FOR TREATING PATIENTS EXPOSED TO CHEMICAL OR BIOLOGICAL WEAPONS AB SCIENCE (FR) 2005-12-01 WO disclosed