SCHEMBL2137995

SCHEMBL2137995

CCOC(=O)C(C#N)=Cc1ccc(-c2ccccc2Cl)o1

nearest known ligand 0.79

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.79
TP53 P04637 7/20 0.79
THRB P10828 1/20 0.65
ALDH1A1 P00352 6/20 0.61
KMT2A Q03164 4/20 0.61
MEN1 O00255 3/20 0.61
NPC1 O15118 3/20 0.61
RAB9A P51151 3/20 0.61
POLB P06746 3/20 0.56
TDP1 Q9NUW8 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.54
LMNA P02545 1/20 0.54
ALOX12 P18054 1/20 0.54
GAA P10253 2/20 0.52
MCL1 Q07820 1/20 0.52
SIRT2 Q8IXJ6 1/20 0.51
STAT1 P42224 1/20 0.47

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
SCHEMBL14472235 1.00 MAPT (0.79) MAPTTP53THRBALDH1A1KMT2A
SCHEMBL14472233 0.83 TP53 (0.58) MAPTTP53THRBALDH1A1KMT2A
SCHEMBL14472234 0.83 TP53 (0.58) MAPTTP53THRBALDH1A1KMT2A
SCHEMBL2819014 0.82 MAPT (0.65) MAPTTP53ALDH1A1KMT2AMEN1
SCHEMBL2819017 0.82 MAPT (0.65) MAPTTP53ALDH1A1KMT2AMEN1
SCHEMBL2141246 0.82 MAPT (0.83) MAPTTP53THRBALDH1A1KMT2A
SCHEMBL2141243 0.82 MAPT (0.83) MAPTTP53THRBALDH1A1KMT2A
SCHEMBL22196893 0.81 KMT2A (0.67) MAPTTP53ALDH1A1KMT2AMEN1
SCHEMBL17465996 0.81 MAPT (0.66) MAPTTP53THRBALDH1A1KMT2A
SCHEMBL2138863 0.81 TP53 (0.76) MAPTTP53THRBALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2242774-B2 SELF-REPAIRING COMPOSITION, SELF-REPAIRING MATERIALS, SELF-REPAIRING METHODS AND APPLICATIONS CATALYSE (FR) 2018-09-26 EP claimed
US-9249237-B2 Self-repairing composition, self-repairing materials, self-repairing methods and applications CATALYSE (FR) 2016-02-02 US claimed
EP-2242774-B1 SELF-REPAIRING COMPOSITION, SELF-REPAIRING MATERIALS, SELF-REPAIRING METHODS AND APPLICATIONS CATALYSE (FR) 2013-01-09 EP claimed
US-20110057340-A1 SELF-REPAIRING COMPOSITION, SELF-REPAIRING MATERIALS, SELF-REPAIRING METHODS AND APPLICATIONS CATALYSE (FR) 2011-03-10 US claimed