SCHEMBL8645940

SCHEMBL8645940

COC(=O)CN(CCNC(=O)OC(C)(C)C)C(=O)Cn1ccc(NC(=O)c2ccccc2)nc1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.43
CKS1B P61024 1/20 0.41
SKP1 P63208 1/20 0.41
SKP2 Q13309 1/20 0.41
ABL1 P00519 2/20 0.37
RIN1 Q13671 2/20 0.37
POLB P06746 1/20 0.36
CASR P41180 1/20 0.34
BRD4 O60885 2/20 0.33
P2RY6 Q15077 2/20 0.33
P2RY14 Q15391 2/20 0.33
SUV39H2 Q9H5I1 2/20 0.33
HTR2C P28335 1/20 0.33
SLC6A4 P31645 1/20 0.33
NT5E P21589 1/20 0.33
HDAC1 Q13547 1/20 0.33
NAMPT P43490 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL3731633 0.93 MAPT (0.45) MAPTCKS1BSKP1SKP2ABL1
SCHEMBL7717128 0.88 ABL1 (0.40) MAPTCKS1BSKP1SKP2ABL1
SCHEMBL6046930 0.87 MAPT (0.42) MAPTCKS1BSKP1SKP2BRD4
SCHEMBL3670409 0.81 RAB9A (0.47) MAPTCKS1BSKP1SKP2ABL1
SCHEMBL8299962 0.79 MEN1 (0.45) MAPTABL1RIN1POLBP2RY6
SCHEMBL8646092 0.78 FLT4 (0.40) CKS1BSKP1SKP2ABL1HDAC1
SCHEMBL15234703 0.76 CKS1B (0.42) MAPTCKS1BSKP1SKP2BRD4
SCHEMBL14308496 0.76 KMT2A (0.41) MAPTCKS1BSKP1SKP2ABL1
SCHEMBL7867801 0.73 MAPT (0.47) MAPTABL1RIN1RAB9A
SCHEMBL454099 0.72 MAPT (0.50) MAPTABL1RIN1POLBMEN1

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-0863150-A1 A method for the preparation of nucleic acid binding compound BOEHRINGER MANNHEIM GMBH (DE) 1998-09-09 EP disclosed