SCHEMBL1646856

SCHEMBL1646856

CCCCOC(=O)N1CCN(c2ccccc2NC(=O)NN2CCOCC2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.53
LMNA P02545 4/20 0.50
POLB P06746 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.47
KCNQ2 O43526 1/20 0.47
TSHR P16473 4/20 0.46
KMT2A Q03164 3/20 0.46
PLA2G1B P04054 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ATG4B Q9Y4P1 1/20 0.46
ALDH1A1 P00352 7/20 0.46
MEN1 O00255 2/20 0.45
NPC1 O15118 1/20 0.44
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
GAA P10253 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43

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
SCHEMBL6165657 0.83 SMN1; SMN2 (0.47) SMN1; SMN2POLBL3MBTL1KCNQ2TSHR
SCHEMBL28057844 0.82 MAPT (0.56) SMN1; SMN2LMNAL3MBTL1TSHRKMT2A
SCHEMBL1646819 0.80 APOBEC3A (0.57) SMN1; SMN2LMNAPOLBL3MBTL1KCNQ2
SCHEMBL1644755 0.79 POLB (0.54) SMN1; SMN2POLBL3MBTL1KCNQ2KMT2A
SCHEMBL1645825 0.76 ALDH1A1 (0.56) SMN1; SMN2LMNAPOLBL3MBTL1KCNQ2
SCHEMBL16993891 0.76 GAA (0.56) SMN1; SMN2LMNAPOLBL3MBTL1TSHR
SCHEMBL1643882 0.74 ALDH1A1 (0.51) SMN1; SMN2POLBL3MBTL1KCNQ2TSHR
SCHEMBL13419737 0.73 SMN1; SMN2 (0.47) SMN1; SMN2POLBTSHRKMT2ANPSR1
SCHEMBL1459682 0.73 MAPT (0.57) SMN1; SMN2LMNAPOLBTSHRKMT2A
SCHEMBL2275286 0.72 SMN1; SMN2 (0.55) SMN1; SMN2LMNAPOLBL3MBTL1TSHR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4665239-B2 2011-04-06 JP claimed
JP-2002512230-A 2002-04-23 JP claimed
EP-1071668-A1 5-AMINOINDENO(1,2-C)PYRAZOL-4-ONES AS ANTI-CANCER AND ANTI-PROLIFERATIVE AGENTS Du Pont Pharmaceuticals Company (US) 2001-01-31 EP claimed
WO-1999054308-A1 5-AMINOINDENO(1,2-C)PYRAZOL-4-ONES AS ANTI-CANCER AND ANTI-PROLIFERATIVE AGENTS DU PONT PHARMACEUTICALS COMPANY (US) 1999-10-28 WO claimed