SCHEMBL5304168

SCHEMBL5304168

CCN1C=CN(Cc2ccccc2)C1Cc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 1/20 0.39
EP300 Q09472 1/20 0.38
ACHE P22303 1/20 0.36
TP53 P04637 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
ELANE P08246 2/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
PRKCA P17252 1/20 0.35
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
F2 P00734 1/20 0.34
PLG P00747 1/20 0.34
CTSG P08311 1/20 0.34
CMA1 P23946 1/20 0.34
CTRC Q99895 1/20 0.34
MC4R P32245 1/20 0.34

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
SCHEMBL3458318 0.93 TP53 (0.41) CCR3TP53
SCHEMBL3458326 0.87 ACHE (0.37) ACHETP53SIGMAR1ELANEALDH1A1
SCHEMBL5296151 0.86 KCNH2 (0.37) CCR3EP300MC4R
SCHEMBL5298494 0.84 KMT2A (0.38) ACHETP53SIGMAR1ELANEALDH1A1
SCHEMBL5291436 0.84 KCNH2 (0.38) TP53
SCHEMBL5292529 0.83 KCNH2 (0.41) SIGMAR1ALDH1A1
SCHEMBL5298870 0.82 KCNH2 (0.47) ALDH1A1LMNA
SCHEMBL5296934 0.82 CCR3 (0.39) CCR3EP300ACHESIGMAR1ALDH1A1
SCHEMBL5285508 0.82 PRMT6 (0.36) TP53
SCHEMBL5282413 0.81 ABL1 (0.40) SIGMAR1ALDH1A1

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
WO-2007006418-A1 IONIC-LIQUID-CONTAINING PRODUCTS FOR DYEING AND/OR BRIGHTENING KERATIN FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-01-18 WO disclosed
WO-2006131234-A1 COSMETIC COMPOSITIONS COMPRISING IONIC LIQUIDS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2006-12-14 WO disclosed