SCHEMBL13464635

SCHEMBL13464635

CN(C)c1ccc(/C=C(\N)C(=O)O)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.50
ALDH1A1 P00352 7/20 0.50
KMT2A Q03164 5/20 0.50
LMNA P02545 2/20 0.50
HSD17B3 P37058 1/20 0.50
GAA P10253 1/20 0.50
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
HDAC9 Q9UKV0 1/20 0.49
HDAC5 Q9UQL6 1/20 0.49
MEN1 O00255 4/20 0.49
JAK2 O60674 1/20 0.49
MITF O75030 1/20 0.49

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
SCHEMBL4005429 0.81 MAPT (0.61) MAPTALDH1A1KMT2ALMNAHSD17B3
SCHEMBL5950254 0.79 AKR1C3 (0.62) MAPTALDH1A1KMT2ALMNAHSD17B3
SCHEMBL5950256 0.79 AKR1C3 (0.62) MAPTALDH1A1KMT2ALMNAHSD17B3
Guanidine SCHEMBL8517217 0.78 AKR1C3 (0.51) MAPTALDH1A1KMT2ALMNAHSD17B3
Guanidine SCHEMBL8517216 0.78 AKR1C3 (0.51) MAPTALDH1A1KMT2ALMNAHSD17B3
SCHEMBL8391069 0.78 MAPT (0.50) MAPTALDH1A1KMT2ALMNAHSD17B3
SCHEMBL221874 0.78 MAPT (0.53) MAPTALDH1A1KMT2ALMNAHSD17B3
SCHEMBL8391067 0.78 MAPT (0.50) MAPTALDH1A1KMT2ALMNAHSD17B3
SCHEMBL5606479 0.76 ALDH1A1 (0.53) ALDH1A1KMT2AMEN1CYP1A2CYP3A4
SCHEMBL11729242 0.76 EGFR (0.53) ALDH1A1CYP2A6KDM4ETP53HSD17B10

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-2253031-B1 DYE SENSITISED SOLAR CELL BASF SE (DE) 2012-10-17 EP disclosed
WO-2009109499-A1 DYE SENSITISED SOLAR CELL BASF SE (DE) 2009-09-11 WO disclosed