SCHEMBL11215484

SCHEMBL11215484

C#COC(=O)C(C#N)=C(c1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
LMNA P02545 3/20 0.47
MAPK1 P28482 3/20 0.47
MAPT P10636 3/20 0.41
RAB9A P51151 3/20 0.41
XBP1 P17861 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
F2 P00734 1/20 0.34
TSHR P16473 2/20 0.33
CES2 O00748 2/20 0.33
CES1 P23141 2/20 0.33
DAO P14920 1/20 0.33
NAPRT Q6XQN6 1/20 0.33
PLA2G7 Q13093 1/20 0.33
NPC1 O15118 2/20 0.33
KMT2A Q03164 2/20 0.33
PKM P14618 2/20 0.33
MEN1 O00255 1/20 0.33
HPGD P15428 1/20 0.33
CRHBP P24387 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
SCHEMBL11225578 0.80 ALDH1A1 (0.53) ALDH1A1LMNAMAPK1MAPTRAB9A
SCHEMBL12421596 0.79 ALDH1A1 (0.49) ALDH1A1LMNAMAPK1MAPTRAB9A
SCHEMBL548361 0.79 ALDH1A1 (0.52) ALDH1A1LMNAMAPK1MAPTRAB9A
SCHEMBL21268071 0.79 ALDH1A1 (0.49) ALDH1A1LMNAMAPK1MAPTRAB9A
SCHEMBL2882620 0.78 ALDH1A1 (0.48) ALDH1A1LMNAMAPK1MAPTRAB9A
SCHEMBL269364 0.76 ALDH1A1 (0.50) ALDH1A1LMNAMAPK1MAPTRAB9A
Water SCHEMBL11778081 0.76 ALDH1A1 (0.50) ALDH1A1LMNAMAPK1MAPTRAB9A
SCHEMBL11215327 0.75 ALDH1A1 (0.49) ALDH1A1LMNAMAPK1MAPTRAB9A
Etocrylene SCHEMBL39390 0.75 ALDH1A1 (0.62) ALDH1A1LMNAMAPK1MAPTRAB9A
SCHEMBL13753886 0.75 ALDH1A1 (0.55) ALDH1A1LMNAMAPK1MAPTRAB9A

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-0026339-B1 RADIATION CURABLE COATING COMPOSITION AND PROCESS FOR COATING A SUBSTRATE THEREWITH GAF CORPORATION (US) 1983-11-30 EP claimed