SCHEMBL5747458

SCHEMBL5747458

CCCCCCCCc1ccc2cccc(N)c2c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.49
SKP2 Q13309 1/20 0.46
HTR2A P28223 2/20 0.46
TLR8 Q9NR97 5/20 0.46
LPL P06858 2/20 0.45
LIPG Q9Y5X9 2/20 0.45
HTR1A P08908 1/20 0.45
HTR1D P28221 1/20 0.45
HTR1B P28222 1/20 0.45
DRD2 P14416 1/20 0.43
SLC6A2 P23975 1/20 0.43
HTR2C P28335 1/20 0.43
SLC6A4 P31645 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
SCHEMBL5749294 1.00 PARP1 (0.49) PARP1SKP2HTR2ATLR8LPL
SCHEMBL5749553 1.00 PARP1 (0.49) PARP1SKP2HTR2ATLR8LPL
SCHEMBL5748855 0.88 PARP1 (0.45) PARP1SKP2HTR2ATLR8LPL
SCHEMBL5751333 0.88 PARP1 (0.45) PARP1SKP2HTR2ATLR8LPL
SCHEMBL5745316 0.88 PARP1 (0.45) PARP1SKP2HTR2ATLR8LPL
SCHEMBL5747795 0.88 PARP1 (0.45) PARP1SKP2HTR2ATLR8LPL
SCHEMBL5745548 0.88 PARP1 (0.45) PARP1SKP2HTR2ATLR8LPL
SCHEMBL5747218 0.88 PARP1 (0.45) PARP1SKP2HTR2ATLR8LPL
SCHEMBL5749210 0.88 PARP1 (0.49) PARP1SKP2HTR2ATLR8LPL
SCHEMBL5747036 0.88 PARP1 (0.49) PARP1SKP2HTR2ATLR8LPL

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
US-20060293503-A1 Polyaminopyridines and method for producing same SUMITOMO SEIKA CHEMICALS CO., LTD (JP) 2006-12-28 US disclosed
EP-1669390-A1 POLYAMINOPYRIDINES AND METHOD FOR PRODUCING SAME SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 2006-06-14 EP disclosed