SCHEMBL5283796

SCHEMBL5283796

CCCCn1cnnc1C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
KMT2A Q03164 2/20 0.38
POLB P06746 1/20 0.38
LMNA P02545 1/20 0.37
ADORA2A P29274 3/20 0.35
TSHR P16473 2/20 0.33
CYP1A2 P05177 1/20 0.33
AMPD2 Q01433 1/20 0.33
TLR8 Q9NR97 2/20 0.33
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
HSD17B10 Q99714 1/20 0.31
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
SLC9A1 P19634 1/20 0.31
TOP2A P11388 1/20 0.30
TYR P14679 1/20 0.30

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
SCHEMBL5284569 0.89 ADORA2A (0.32) KMT2AADORA2AMEN1
SCHEMBL5284510 0.80 LRRK2 (0.34) KMT2AMEN1
SCHEMBL22792081 0.76 MEN1 (0.38) ALDH1A1KMT2APOLBADORA2AMEN1
SCHEMBL5282719 0.75 ALDH1A1 (0.36) ALDH1A1KMT2APOLBLMNAADORA2A
SCHEMBL5280426 0.75 ALDH1A1 (0.50) ALDH1A1KMT2APOLBLMNAADORA2A
SCHEMBL8171873 0.73 ALDH1A1 (0.40) ALDH1A1KMT2APOLBLMNAADORA2A
SCHEMBL5283248 0.73 ALDH1A1 (0.40) ALDH1A1KMT2APOLBLMNAADORA2A
SCHEMBL29031197 0.73 ALDH1A1 (0.40) ALDH1A1KMT2APOLBLMNAADORA2A
SCHEMBL5278999 0.72 ALDH1A1 (0.39) ALDH1A1KMT2APOLBLMNAADORA2A
SCHEMBL5274280 0.72 ALDH1A1 (0.39) ALDH1A1KMT2APOLBLMNAADORA2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1859781-A2 Brightening and/or colouring agent with triazoles Henkel Kommanditgesellschaft auf Aktien (DE) 2007-11-28 EP disclosed