SCHEMBL5823724

SCHEMBL5823724

CCc1nnc(NC(=O)NC(CO)CCN2CC(S(=O)(=O)c3ccc(Cl)cc3)C2)s1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 6/20 0.49
RAB9A P51151 1/20 0.49
KMT2A Q03164 9/20 0.48
MEN1 O00255 7/20 0.48
KLKB1 P03952 1/20 0.48
CTSB P07858 1/20 0.48
ELANE P08246 1/20 0.48
LMNA P02545 4/20 0.42
MAPK1 P28482 1/20 0.42
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
NPC1 O15118 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
USP2 O75604 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL5223131 1.00 POLB (0.49) POLBRAB9AKMT2AMEN1KLKB1
SCHEMBL5338559 0.84 RAB9A (0.49) POLBRAB9AKMT2AMEN1KLKB1
SCHEMBL5221619 0.84 POLB (0.49) POLBRAB9AKMT2AMEN1KLKB1
SCHEMBL5223980 0.80 MAPK14 (0.36) LMNA
SCHEMBL5221538 0.80 MAPT (0.38) KMT2AMEN1LMNA
SCHEMBL5223997 0.79 KIT (0.37) KMT2A
SCHEMBL6691951 0.78 RAB9A (0.42) POLBRAB9AKMT2AMEN1LMNA
SCHEMBL6635132 0.77 SMN1; SMN2 (0.43) POLBRAB9AKMT2ALMNAALDH1A1
SCHEMBL6637339 0.77 RAB9A (0.40) POLBRAB9AKMT2AMEN1LMNA
SCHEMBL6636649 0.77 SMN1; SMN2 (0.45) POLBKMT2AMEN1LMNAALDH1A1

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-1663966-A1 1,3-DISUBSTITUTED AZETIDINE DERIVATIVES FOR USE AS CCR-3 RECEPTOR ANTAGONISTS IN THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISEASES Novartis AG (CH) 2006-06-07 EP disclosed
WO-2005026113-A1 1, 3-DISUBSTITUTED AZETIDINE DERIVATIVES FOR USE AS CCR-3 RECEPTOR ANTAGONISTS IN THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISEASES NOVARTIS AG (CH) 2005-03-24 WO disclosed