SCHEMBL10869451

SCHEMBL10869451

[O-][S+]1CCN(c2nc3nc(N4CCNCC4)nc(N4CCOCC4)c3nc2-c2ccccc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MTOR P42345 3/20 0.44
POLB P06746 1/20 0.43
ALDH1A1 P00352 5/20 0.43
LMNA P02545 4/20 0.43
PDE4A P27815 4/20 0.43
PDE4B Q07343 4/20 0.43
PDE4C Q08493 4/20 0.43
PDE4D Q08499 4/20 0.43
HPGD P15428 2/20 0.42
NPSR1 Q6W5P4 2/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41
KDM4E B2RXH2 3/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
NOS1 P29475 1/20 0.39
PIK3CA P42336 3/20 0.39
KMT2A Q03164 2/20 0.38

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
SCHEMBL10873486 0.92 CASP1 (0.53) CASP1HSD17B10MTORPOLBALDH1A1
SCHEMBL10869613 0.92 CASP1 (0.53) CASP1HSD17B10MTORPOLBALDH1A1
SCHEMBL10870398 0.88 MTOR (0.45) CASP1HSD17B10MTORPOLBALDH1A1
SCHEMBL10707421 0.82 PDE4A (0.65) MTORPOLBALDH1A1PDE4APDE4B
SCHEMBL10705682 0.82 PDE4A (0.65) MTORPOLBALDH1A1PDE4APDE4B
SCHEMBL10870587 0.81 PDE4A (0.60) CASP1HSD17B10ALDH1A1LMNAPDE4A
SCHEMBL10869809 0.79 PDE4A (0.49) CASP1HSD17B10POLBALDH1A1LMNA
SCHEMBL10870626 0.78 PDE4A (0.41) CASP1HSD17B10ALDH1A1LMNAPDE4A
SCHEMBL10870316 0.77 PDE4A (0.65) POLBALDH1A1LMNAPDE4APDE4B
SCHEMBL10704532 0.76 PDE4A (0.42) MTORPOLBALDH1A1LMNAPDE4A

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-0185259-A2 Pteridines, process for their preparation, and their use as intermediates or as medicaments Dr. Karl Thomae GmbH (DE) 1986-06-25 EP disclosed