SCHEMBL6654449

SCHEMBL6654449

CCCCc1nc2ccc(OC)c(OC)c2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.43
PDE3A Q14432 2/20 0.43
PARP1 P09874 1/20 0.43
TERT O14746 1/20 0.39
KMT2A Q03164 1/20 0.37
CNR2 P34972 1/20 0.37
MAPK1 P28482 1/20 0.36
PI4KA P42356 1/20 0.36
PI4K2B Q8TCG2 1/20 0.36
PI4K2A Q9BTU6 1/20 0.36
PI4KB Q9UBF8 1/20 0.36
AMY1A P0DUB6 1/20 0.35

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
SCHEMBL6656241 0.85 PDE3B (0.50) PDE3BPDE3AKMT2AAMY1A
SCHEMBL6654447 0.77 CACNA1H (0.42) PDE3BPDE3APARP1TERTKMT2A
Ammonia Solution, Strong SCHEMBL3664643 0.77 KDM4E (0.39) PARP1MAPK1PI4KAPI4K2BPI4K2A
SCHEMBL6654779 0.73 PDE3B (0.50) PDE3BPDE3ATERTKMT2AMAPK1
SCHEMBL6756139 0.73 PARP1 (0.47) PARP1KMT2AMAPK1PI4KAPI4K2B
SCHEMBL2266470 0.72 PDE10A (0.55) PARP1KMT2A
SCHEMBL6653127 0.72 PARP1 (0.46) PARP1KMT2API4KAPI4K2BPI4K2A
Ammonia Solution, Strong SCHEMBL3663348 0.71 PDE10A (0.54) PARP1KMT2A
SCHEMBL9854434 0.71 PARP1 (0.58) PARP1KMT2A
SCHEMBL6755253 0.70 PARP1 (0.54) PARP1KMT2API4KAPI4K2BPI4K2A

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
EP-1428510-A1 Dyeing composition comprising a tertiary paraphenylenediamine containing a pyrrolidine, and a heterocyclic coupler or a hydroxybenzamide ; method and use L'OREAL (FR) 2004-06-16 EP claimed
EP-1428510-A1 Dyeing composition comprising a tertiary paraphenylenediamine containing a pyrrolidine, and a heterocyclic coupler or a hydroxybenzamide ; method and use L'OREAL (FR) 2004-06-16 EP disclosed