SCHEMBL5325692

SCHEMBL5325692

CC(C)N1C=CN(Cc2ccccc2)C1Cc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 1/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
KCNH2 Q12809 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
CCR3 P51677 1/20 0.36
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
F2 P00734 1/20 0.35
PLG P00747 1/20 0.35
ELANE P08246 1/20 0.35
CTSG P08311 1/20 0.35
CMA1 P23946 1/20 0.35
CTRC Q99895 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
SCHEMBL5298144 0.87 KCNH2 (0.36) KCNH2HRH3
SCHEMBL5329132 0.87 KMT2A (0.34) KMT2AMEN1HRH3ALDH1A1CYP1A2
SCHEMBL5325917 0.86 KCNH2 (0.41) KCNH2HRH3
SCHEMBL5822750 0.84 KMT2A (0.35) KMT2AMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL5282862 0.84 KCNH2 (0.35) KCNH2HRH3
SCHEMBL5297858 0.82 MMP1 (0.39) KCNH2
SCHEMBL5327978 0.82 ABL1 (0.39) KMT2AMEN1HRH3ALDH1A1CYP1A2
SCHEMBL5284985 0.81 KCNH2 (0.44) KMT2AMEN1KCNH2ALDH1A1
SCHEMBL5334728 0.81 ALDH1A1 (0.40) KMT2AMEN1ALDH1A1
SCHEMBL5303124 0.80 KCNH2 (0.38) KCNH2HRH3

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