SCHEMBL9526073

SCHEMBL9526073

CCOC(=O)NCCNc1nc(N)nc(N)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.39
GLA P06280 2/20 0.39
GAA P10253 2/20 0.38
ALDH1A1 P00352 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
TSHR P16473 2/20 0.36
MEN1 O00255 1/20 0.36
MAPK1 P28482 3/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35

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 0.97 KMT2A (0.39) KMT2AGLAGAAALDH1A1L3MBTL1
SCHEMBL9525870 0.89 KMT2A (0.44) KMT2AGLAALDH1A1L3MBTL1TSHR
SCHEMBL29834112 0.75 ACHE (0.54) KMT2AGLAGAAALDH1A1L3MBTL1
SCHEMBL28278136 0.74 ALDH1A1 (0.44) KMT2AGLAGAAALDH1A1TSHR
SCHEMBL380440 0.73 CA1 (0.47) ALDH1A1CA1CA2CA9HTR1A
SCHEMBL17826469 0.73 ADORA2A (0.46) KMT2AGAAALDH1A1MEN1CA1
SCHEMBL17577087 0.73 ADORA2A (0.46) KMT2AGAAALDH1A1MEN1CA1
SCHEMBL25287553 0.70 CA1 (0.36) KMT2AALDH1A1MEN1MAPK1NPC1
SCHEMBL18675209 0.70 CYP1A2 (0.48) KMT2AALDH1A1MEN1MAPK1NPC1
SCHEMBL1524901 0.69 ACHE (0.48) KMT2AGLAGAAALDH1A1L3MBTL1

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