SCHEMBL7504576

SCHEMBL7504576

CC(=O)NCC1CC(c2ccc(C3=CCN(C(=O)OC(C)(C)C)CC3)cc2)=NO1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.48
CDK7 P50613 1/20 0.44
CDK13 Q14004 1/20 0.44
CDK12 Q9NYV4 1/20 0.44
RAB9A P51151 2/20 0.44
MIF P14174 6/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
GRM1 Q13255 4/20 0.42
GRM5 P41594 3/20 0.42
HDAC6 Q9UBN7 1/20 0.42
PDK4 Q16654 1/20 0.42
NPC1 O15118 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LIPC P11150 1/20 0.41
LIPG Q9Y5X9 1/20 0.41

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
SCHEMBL7507907 0.92 RAB9A (0.48) RAB9AMIFHDAC6NPC1SMN1; SMN2
SCHEMBL7504359 0.88 QDPR (0.46) NAMPTRAB9AMIFHDAC6NPC1
SCHEMBL7505583 0.88 RAB9A (0.45) RAB9AMIFHDAC6NPC1SMN1; SMN2
SCHEMBL7501060 0.86 RAB9A (0.43) NAMPTRAB9AMIFMEN1KMT2A
SCHEMBL7501044 0.86 RAB9A (0.43) NAMPTRAB9AMIFMEN1KMT2A
SCHEMBL7514922 0.79 NAMPT (0.48) NAMPTCDK7CDK13CDK12GRM1
SCHEMBL6397227 0.79 MAOA (0.49) NAMPTPDK4
SCHEMBL6397236 0.79 MAOA (0.49) NAMPTPDK4
SCHEMBL10189855 0.79 RAB9A (0.45) RAB9AMIFMEN1KMT2AHDAC6
SCHEMBL7508392 0.79 RAB9A (0.43) RAB9AMIFHDAC6NPC1SMN1; SMN2

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-0920421-B1 ISOXAZOLINE DERIVATIVES USEFUL AS ANTIMICROBIALS UPJOHN CO (US) 2002-11-06 EP claimed