SCHEMBL6654447

SCHEMBL6654447

CCCCc1nc2c(OC)c(OC)ccc2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 1/20 0.42
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 2/20 0.38
ALDH1A1 P00352 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 1/20 0.38
AAK1 Q2M2I8 1/20 0.38
TERT O14746 1/20 0.37
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PARP1 P09874 1/20 0.37

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
SCHEMBL6656239 0.85 CACNA1H (0.45) CACNA1HKDM4EMEN1ALDH1A1KMT2A
SCHEMBL6654449 0.77 PDE3B (0.43) KMT2ATERTPDE3BPDE3APARP1
Ammonia Solution, Strong SCHEMBL3664643 0.77 KDM4E (0.39) KDM4EALDH1A1MAPTLMNAHPGD
SCHEMBL6654775 0.73 PDE3B (0.43) CACNA1HKDM4EMEN1ALDH1A1KMT2A
SCHEMBL6756137 0.73 CBFB (0.42) ALDH1A1KMT2AMAPTPARP1MAPK1
SCHEMBL6653125 0.72 GPR84 (0.41) ALDH1A1PARP1MAPK1
SCHEMBL2266470 0.72 PDE10A (0.55) KDM4EMEN1ALDH1A1KMT2AMAPT
SCHEMBL15767458 0.72 SMN1; SMN2 (0.49) CACNA1HKDM4EALDH1A1AAK1TP53
Ammonia Solution, Strong SCHEMBL3663348 0.71 PDE10A (0.54) KDM4EMEN1ALDH1A1KMT2AMAPT
SCHEMBL6755252 0.70 MGAM (0.45) ALDH1A1

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