SCHEMBL5960247

SCHEMBL5960247

Cc1ccc(OC(N)C(N)O)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.42
TEAD4 Q15561 1/20 0.41
ALDH1A1 P00352 3/20 0.40
MAPT P10636 3/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
LMNA P02545 2/20 0.40
NLRP1 Q9C000 1/20 0.40
WDR5 P61964 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
MEN1 O00255 1/20 0.39
TSHR P16473 2/20 0.37
USP2 O75604 1/20 0.37
CYP3A4 P08684 1/20 0.37
PPARG P37231 2/20 0.37
PPARA Q07869 2/20 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
SCHEMBL3399534 0.79 KMT2A (0.38) ACHETEAD4ALDH1A1MAPTKMT2A
SCHEMBL7521294 0.76 ACHE (0.46) ACHETEAD4ALDH1A1MAPTKMT2A
SCHEMBL11577753 0.76 ACHE (0.46) ACHETEAD4ALDH1A1MAPTKMT2A
SCHEMBL3400708 0.75 WDR5 (0.39) ACHETEAD4ALDH1A1MAPTKMT2A
Hydrochloric Acid SCHEMBL10512596 0.74 TDP1 (0.46) ACHETEAD4ALDH1A1MAPTKMT2A
SCHEMBL3396858 0.74 MAPT (0.36) ALDH1A1MAPTKMT2APOLBLMNA
SCHEMBL8723823 0.73 ACHE (0.42) ACHETEAD4ALDH1A1MAPTKMT2A
SCHEMBL17904768 0.73 ACHE (0.42) ACHETEAD4ALDH1A1MAPTKMT2A
SCHEMBL19493387 0.73 ACHE (0.42) ACHETEAD4ALDH1A1MAPTKMT2A
SCHEMBL4241137 0.73 ACHE (0.42) ACHETEAD4ALDH1A1MAPTKMT2A

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-1658128-A1 MULTI-CONSTITUENT PACKAGING COMPRISING A STATIC MICROMIXER Wella Aktiengesellschaft (DE) 2006-05-24 EP disclosed
WO-2005018785-A1 MULTI-CONSTITUENT PACKAGING COMPRISING A STATIC MICROMIXER WELLA AKTIENGESELLSCHAFT (DE) 2005-03-03 WO disclosed