SCHEMBL14472233

SCHEMBL14472233

CCOC(=O)/C(C#N)=C/c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TP53 P04637 9/20 0.58
MAPT P10636 6/20 0.58
THRB P10828 2/20 0.58
ALDH1A1 P00352 2/20 0.55
MEN1 O00255 1/20 0.55
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
KMT2A Q03164 1/20 0.55
RXFP1 Q9HBX9 1/20 0.54
POLB P06746 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
KDM4E B2RXH2 2/20 0.45

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
SCHEMBL14472234 1.00 TP53 (0.58) TP53MAPTTHRBALDH1A1MEN1
SCHEMBL2845367 0.85 TP53 (0.51) TP53MAPTTHRBMEN1KMT2A
SCHEMBL2845364 0.85 TP53 (0.51) TP53MAPTTHRBMEN1KMT2A
SCHEMBL2137995 0.83 MAPT (0.79) TP53MAPTTHRBALDH1A1MEN1
SCHEMBL14472235 0.83 MAPT (0.79) TP53MAPTTHRBALDH1A1MEN1
SCHEMBL2141246 0.76 MAPT (0.83) TP53MAPTTHRBALDH1A1MEN1
SCHEMBL2141243 0.76 MAPT (0.83) TP53MAPTTHRBALDH1A1MEN1
SCHEMBL38662402 0.76 MAPT (0.57) TP53MAPTTHRBALDH1A1MEN1
SCHEMBL17465996 0.75 MAPT (0.66) TP53MAPTTHRBALDH1A1MEN1
SCHEMBL38659652 0.75 MAPT (0.64) TP53MAPTTHRBALDH1A1MEN1

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-2242774-B2 SELF-REPAIRING COMPOSITION, SELF-REPAIRING MATERIALS, SELF-REPAIRING METHODS AND APPLICATIONS CATALYSE (FR) 2018-09-26 EP claimed
EP-2242774-B1 SELF-REPAIRING COMPOSITION, SELF-REPAIRING MATERIALS, SELF-REPAIRING METHODS AND APPLICATIONS CATALYSE (FR) 2013-01-09 EP claimed