SCHEMBL6879531

SCHEMBL6879531

N#Cc1ccc(OCC(=O)NN)cc1.NNC(=O)COc1ccc(-c2nnn[nH]2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.48
KMT2A Q03164 3/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 3/20 0.45
ABCB1 P08183 1/20 0.45
ABCG2 Q9UNQ0 1/20 0.45
PORCN Q9H237 1/20 0.43
MAPT P10636 2/20 0.43
POLB P06746 1/20 0.43
MMP2 P08253 2/20 0.43
MMP3 P08254 2/20 0.43
MMP1 P03956 1/20 0.43
MMP9 P14780 1/20 0.43
MMP13 P45452 1/20 0.43
ALDH1A1 P00352 3/20 0.42
ADORA2A P29274 2/20 0.42
ADORA2B P29275 2/20 0.42
MEN1 O00255 2/20 0.42
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 2/20 0.41

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
SCHEMBL2832507 0.92 ALDH1A1 (0.49) KDM4EKMT2AGAAMAPTALDH1A1
SCHEMBL2835052 0.81 GAA (0.60) KDM4EKMT2AGAAHPGDABCB1
SCHEMBL4402319 0.77 NOTUM (0.42) MMP3
SCHEMBL9254542 0.75 MMP3 (0.44) MMP2MMP3
SCHEMBL4413701 0.72 ALDH1A1 (0.67) KDM4EKMT2AMAPTPOLBALDH1A1
SCHEMBL4422333 0.71 ALDH1A1 (0.73) KDM4EKMT2AALDH1A1MEN1LMNA
SCHEMBL1303777 0.70 MPO (0.46) KDM4EKMT2AGAAMAPTPOLB
SCHEMBL13780254 0.69 PDE3B (0.47) KMT2AHPGDMAPTHDAC1HDAC2
SCHEMBL20714313 0.68 AOC3 (0.66)
SCHEMBL20714312 0.68 AOC3 (0.66)

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-1439834-A1 OXINDOLE HYDRAZIDE MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) Applied Research Systems ARS Holding N.V. (AN) 2004-07-28 EP claimed
WO-2003037328-A1 OXINDOLE HYDRAZIDE MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2003-05-08 WO claimed