SCHEMBL5528239

SCHEMBL5528239

N#C/C(=C\c1cn(CC(=O)O)c2ccccc12)C(=O)NCc1ccc(F)cc1

nearest known ligand 0.86

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.86
KMT2A Q03164 8/20 0.86
PTGDR2 Q9Y5Y4 4/20 0.68
MAPT P10636 3/20 0.68
ALDH1A1 P00352 2/20 0.68
KDM4E B2RXH2 2/20 0.68
POLB P06746 2/20 0.68
HPGD P15428 2/20 0.68
NPSR1 Q6W5P4 1/20 0.68
GAA P10253 1/20 0.63
PKM P14618 1/20 0.59
USP2 O75604 1/20 0.58
GLA P06280 1/20 0.58
SLC16A1 P53985 1/20 0.58
LMNA P02545 1/20 0.56

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
SCHEMBL5528242 1.00 MEN1 (0.86) MEN1KMT2APTGDR2MAPTALDH1A1
SCHEMBL2086953 0.93 MEN1 (1.00) MEN1KMT2APTGDR2MAPTALDH1A1
SCHEMBL2086952 0.93 MEN1 (1.00) MEN1KMT2APTGDR2MAPTALDH1A1
SCHEMBL2086720 0.91 KMT2A (0.72) MEN1KMT2APTGDR2MAPTALDH1A1
SCHEMBL2087668 0.90 KMT2A (0.86) MEN1KMT2APTGDR2MAPTALDH1A1
SCHEMBL2089256 0.89 KMT2A (0.83) MEN1KMT2APTGDR2MAPTALDH1A1
SCHEMBL2088126 0.88 MEN1 (0.67) MEN1KMT2APTGDR2MAPTALDH1A1
SCHEMBL2088135 0.88 MEN1 (0.82) MEN1KMT2APTGDR2MAPTALDH1A1
SCHEMBL2088137 0.88 MEN1 (0.82) MEN1KMT2APTGDR2MAPTALDH1A1
SCHEMBL2087143 0.87 MEN1 (0.86) MEN1KMT2APTGDR2MAPTALDH1A1

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-1740171-A1 INDOL-1-YL-ACETIC ACID DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2007-01-10 EP disclosed
WO-2005094816-A1 INDOL-1-YL-ACETIC ACID DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2005-10-13 WO disclosed