SCHEMBL5748855

SCHEMBL5748855

CCCCCCc1ccc2cc3c(N)cccc3cc2c1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.45
TLR8 Q9NR97 6/20 0.42
SKP2 Q13309 1/20 0.42
HTR2A P28223 1/20 0.41
LPL P06858 1/20 0.41
LIPG Q9Y5X9 1/20 0.41
S1PR1 P21453 1/20 0.41
S1PR3 Q99500 1/20 0.41
SIGMAR1 Q99720 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
SCHEMBL5747218 1.00 PARP1 (0.45) PARP1TLR8SKP2HTR2ALPL
SCHEMBL5747795 1.00 PARP1 (0.45) PARP1TLR8SKP2HTR2ALPL
SCHEMBL5745548 1.00 PARP1 (0.45) PARP1TLR8SKP2HTR2ALPL
SCHEMBL5745316 1.00 PARP1 (0.45) PARP1TLR8SKP2HTR2ALPL
SCHEMBL5751333 1.00 PARP1 (0.45) PARP1TLR8SKP2HTR2ALPL
SCHEMBL5747458 0.88 PARP1 (0.49) PARP1TLR8SKP2HTR2ALPL
SCHEMBL5747932 0.88 PARP1 (0.49) PARP1TLR8SKP2HTR2ALPL
SCHEMBL5749210 0.88 PARP1 (0.49) PARP1TLR8SKP2HTR2ALPL
SCHEMBL5749294 0.88 PARP1 (0.49) PARP1TLR8SKP2HTR2ALPL
SCHEMBL5747036 0.88 PARP1 (0.49) PARP1TLR8SKP2HTR2ALPL

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