SCHEMBL2473383

SCHEMBL2473383

CC(C)(C)OC(=O)NCCCCCCCCN(CC(=O)O)Cc1ccccn1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.42
CKS1B P61024 1/20 0.42
SKP1 P63208 1/20 0.42
SKP2 Q13309 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
CA12 O43570 3/20 0.41
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA9 Q16790 3/20 0.41
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LIN28A Q9H9Z2 1/20 0.39
DRD2 P14416 4/20 0.39
CXCR4 P61073 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL10261553 0.93 TDP1 (0.47) CYP3A4CKS1BSKP1SKP2TDP1
SCHEMBL2840695 0.93 TDP1 (0.47) CYP3A4CKS1BSKP1SKP2TDP1
SCHEMBL3974693 0.93 TDP1 (0.47) CYP3A4CKS1BSKP1SKP2TDP1
SCHEMBL2476921 0.92 CYP3A4 (0.42) CYP3A4CKS1BSKP1SKP2TDP1
Bromide SCHEMBL3972235 0.85 CYP3A4 (0.41) CYP3A4CKS1BSKP1SKP2TDP1
SCHEMBL12747338 0.84 SMN1; SMN2 (0.51) CYP3A4CKS1BSKP1SKP2TDP1
SCHEMBL12836400 0.83 RECQL (0.44) TDP1MAPTSMN1; SMN2LIN28AMEN1
SCHEMBL10282622 0.81 CKS1B (0.46) CKS1BSKP1SKP2TDP1MAPT
SCHEMBL2469931 0.80 SMN1; SMN2 (0.42) TDP1MAPTSMN1; SMN2LIN28AKMT2A
SCHEMBL22883030 0.80 CA12 (0.53) CYP3A4TDP1NPSR1CA12CA1

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-2373622-A2 CA-IX SPECIFIC RADIOPHARMACEUTICALS FOR THE TREATMENT AND IMAGING OF CANCER Molecular Insight Pharmaceuticals, Inc. (US) 2011-10-12 EP disclosed
WO-2010065906-A2 CA-IX SPECIFIC RADIOPHARMACEUTICALS FOR THE TREATMENT AND IMAGING OF CANCER MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US) 2010-06-10 WO disclosed