SCHEMBL5159101

SCHEMBL5159101

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCP P55072 2/20 0.39
MKNK1 Q9BUB5 4/20 0.38
MKNK2 Q9HBH9 4/20 0.38
RAB9A P51151 4/20 0.37
NPC1 O15118 3/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
GAA P10253 1/20 0.35
CYP19A1 P11511 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
ABL1 P00519 1/20 0.34
EGFR P00533 1/20 0.34
ERBB2 P04626 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
SCHEMBL5159113 0.90 VCP (0.40) VCPRAB9ANPC1MEN1KMT2A
SCHEMBL5001897 0.86 RAB9A (0.47) MKNK1MKNK2RAB9ANPC1MEN1
SCHEMBL5159104 0.82 DYRK1A (0.45) RAB9ANPC1MEN1KMT2ACASP3
SCHEMBL5001904 0.73 RAB9A (0.48) MKNK1MKNK2RAB9ANPC1MEN1
SCHEMBL716174 0.72 KDM4E (0.54) RAB9ANPC1MEN1KMT2ACASP3
SCHEMBL720660 0.70 NPC1 (0.44) RAB9ANPC1MEN1KMT2ATDP1
SCHEMBL716307 0.70 KDM4E (0.52) RAB9ANPC1MEN1KMT2ATDP1
SCHEMBL714837 0.68 NPC1 (0.53) RAB9ANPC1MEN1KMT2ATDP1
SCHEMBL718122 0.68 ABL1 (0.58) RAB9ANPC1ABL1EGFRERBB2
SCHEMBL27904707 0.68 RAB9A (0.52) MKNK1MKNK2RAB9ANPC1MEN1

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