SCHEMBL9407564

SCHEMBL9407564

CC(C)(C)OC(=O)N(CCNC(=O)OCCCl)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.41
F2 P00734 4/20 0.41
CKS1B P61024 1/20 0.39
SKP1 P63208 1/20 0.39
SKP2 Q13309 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MTNR1A P48039 2/20 0.37
MTNR1B P49286 2/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
PAX8 Q06710 2/20 0.36
JAK2 O60674 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36

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
SCHEMBL9407493 0.87 SMN1; SMN2 (0.48) IDO1F2CKS1BSKP1SKP2
SCHEMBL9407550 0.82 CKS1B (0.38) IDO1F2CKS1BSKP1SKP2
SCHEMBL6636248 0.80 F2 (0.47) F2SMN1; SMN2MEN1KMT2ACYP3A4
SCHEMBL9407513 0.80 SMN1; SMN2 (0.43) IDO1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL3068694 0.80 SMN1; SMN2 (0.47) IDO1CKS1BSKP1SKP2SMN1; SMN2
SCHEMBL9363322 0.79 TDP1 (0.49) IDO1F2CKS1BSKP1SKP2
SCHEMBL15189256 0.79 NPC1 (0.52) IDO1CKS1BSKP1SKP2SMN1; SMN2
SCHEMBL5107520 0.79 SMN1; SMN2 (0.47) F2SMN1; SMN2MEN1KMT2ACYP3A4
SCHEMBL15283620 0.77 CKS1B (0.50) IDO1CKS1BSKP1SKP2SMN1; SMN2
SCHEMBL5090319 0.76 MEN1 (0.50) F2SMN1; SMN2MEN1KMT2ACYP3A4

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-0610943-A1 Pyridinium derivatives useful as PAF antagonists J. URIACH & CIA. S.A. (ES) 1994-08-17 EP disclosed