SCHEMBL9525870

SCHEMBL9525870

CCOC(=O)NCCNc1nc(NCCNC(=O)OCC)nc(NCCNC(=O)OCC)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
GLA P06280 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.41
ACHE P22303 7/20 0.40
TSHR P16473 2/20 0.40
MEN1 O00255 1/20 0.40
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
NCOR2 Q9Y618 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KDM4E B2RXH2 2/20 0.39

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
SCHEMBL9526152 0.92 KMT2A (0.39) KMT2AGLAL3MBTL1ACHETSHR
SCHEMBL9526073 0.89 KMT2A (0.39) KMT2AGLAL3MBTL1ACHETSHR
SCHEMBL29834112 0.82 ACHE (0.54) KMT2AGLAL3MBTL1ACHEHDAC3
SCHEMBL5463180 0.76 EPHX1 (0.54) KMT2AGLAL3MBTL1ACHETSHR
SCHEMBL1524901 0.76 ACHE (0.48) KMT2AGLAL3MBTL1ACHEHDAC3
SCHEMBL423443 0.74 ACHE (0.47) KMT2AGLAL3MBTL1ACHETSHR
SCHEMBL14288713 0.74 ACHE (0.47) KMT2AGLAL3MBTL1ACHEHDAC3
SCHEMBL3363746 0.74 KMT2A (0.53) KMT2AGLAALDH1A1KDM4ESMN1; SMN2
SCHEMBL9407494 0.74 GAA (0.58) KMT2AGLAL3MBTL1HDAC3HDAC4
SCHEMBL593148 0.73

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0179408-B1 AMIDOALKYL MELAMINES AND AMINOALKYL MELAMINES, AND PROCESS FOR THEIR PREPARATION BASF Aktiengesellschaft (DE) 1993-09-08 EP disclosed
US-4670558-A POLYURETHANE INTERMEDIATES BASF AKTIENGESELLSCHAFT (DE) 1987-06-02 US disclosed
EP-0179408-A2 Amidoalkyl melamines and aminoalkyl melamines, and process for their preparation BASF Aktiengesellschaft (DE) 1986-04-30 EP disclosed