SCHEMBL7364628

SCHEMBL7364628

Cc1[nH]c2ccc(C#N)cc2c1CC(=O)O

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.68
GAA P10253 4/20 0.68
MAPT P10636 4/20 0.68
MEN1 O00255 4/20 0.68
KMT2A Q03164 4/20 0.68
ALDH1A1 P00352 2/20 0.68
AKR1C2 P52895 1/20 0.61
CASP1 P29466 1/20 0.58
CASP7 P55210 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.47
POLB P06746 1/20 0.46
CXCR2 P25025 4/20 0.45
FASN P49327 1/20 0.43
APEX1 P27695 1/20 0.42

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
SCHEMBL7369831 0.86 APEX1 (0.55) KDM4EGAAMAPTMEN1KMT2A
SCHEMBL9936524 0.84 MEN1 (0.49) KDM4EGAAMAPTMEN1KMT2A
SCHEMBL6102581 0.81 KDM4E (1.00) KDM4EGAAMAPTMEN1KMT2A
SCHEMBL30854920 0.81 KDM4E (1.00) KDM4EGAAMAPTMEN1KMT2A
SCHEMBL2003333 0.80 KDM4E (0.75) KDM4EGAAMAPTMEN1KMT2A
SCHEMBL1757962 0.78 KDM4E (0.73) KDM4EGAAMAPTMEN1KMT2A
SCHEMBL13401405 0.78 KDM4E (0.73) KDM4EGAAMAPTMEN1KMT2A
SCHEMBL3408821 0.78 KDM4E (0.73) KDM4EGAAMAPTMEN1KMT2A
SCHEMBL11338372 0.78 KDM4E (0.73) KDM4EGAAMAPTMEN1KMT2A
SCHEMBL11352581 0.77 HTR6 (0.62) MEN1KMT2AL3MBTL1CXCR2

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-0960102-A1 AMIDINOINDOLES, AMIDINOAZOLES, AND ANALOGS THEREOF AS INHIBITORS OF FACTOR Xa AND OF THROMBIN Du Pont Pharmaceuticals Company (US) 1999-12-01 EP disclosed
WO-1998001428-A1 AMIDINOINDOLES, AMIDINOAZOLES, AND ANALOGS THEREOF AS INHIBITORS OF FACTOR Xa AND OF THROMBIN DU PONT PHARMACEUTICALS COMPANY (US) 1998-01-15 WO disclosed