SCHEMBL5334728

SCHEMBL5334728

CCCCCC1N(Cc2ccccc2)C=CN1C(C)C

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ABL1 P00519 1/20 0.39
RIN1 Q13671 1/20 0.39
SIGMAR1 Q99720 2/20 0.36
SIRT5 Q9NXA8 1/20 0.35
CYP19A1 P11511 3/20 0.35
LMNA P02545 1/20 0.34
CSNK1E P49674 1/20 0.34
TLR8 Q9NR97 1/20 0.34
ACE P12821 1/20 0.33
CNR2 P34972 1/20 0.33

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
SCHEMBL5327643 0.99 ALDH1A1 (0.39) ALDH1A1MEN1KMT2AABL1RIN1
SCHEMBL5823049 0.99 ALDH1A1 (0.39) ALDH1A1MEN1KMT2AABL1RIN1
SCHEMBL5327773 0.99 ALDH1A1 (0.39) ALDH1A1MEN1KMT2AABL1RIN1
SCHEMBL5823032 0.99 ALDH1A1 (0.39) ALDH1A1MEN1KMT2AABL1RIN1
SCHEMBL5823004 0.99 ALDH1A1 (0.39) ALDH1A1MEN1KMT2AABL1RIN1
SCHEMBL5816572 0.99 ALDH1A1 (0.39) ALDH1A1MEN1KMT2AABL1RIN1
SCHEMBL5823294 0.99 ALDH1A1 (0.39) ALDH1A1MEN1KMT2AABL1RIN1
SCHEMBL5324659 0.99 ALDH1A1 (0.39) ALDH1A1MEN1KMT2AABL1RIN1
SCHEMBL5328845 0.99 ALDH1A1 (0.39) ALDH1A1MEN1KMT2AABL1RIN1
SCHEMBL5333218 0.99 ALDH1A1 (0.39) ALDH1A1MEN1KMT2AABL1RIN1

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