SCHEMBL4014476

SCHEMBL4014476

CCOC(=O)CCn1ccc2c(Cl)nc(OC)nc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 10/20 0.50
CREBBP Q92793 1/20 0.40
HSP90AA1 P07900 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38
TUBB4B P68371 1/20 0.38
TUBB3 Q13509 1/20 0.38
TUBB2A Q13885 1/20 0.38
TUBB8 Q3ZCM7 1/20 0.38
TUBA3E Q6PEY2 1/20 0.38
TUBA1A Q71U36 1/20 0.38
TUBA1C Q9BQE3 1/20 0.38
TUBB6 Q9BUF5 1/20 0.38
TUBB2B Q9BVA1 1/20 0.38
TUBB1 Q9H4B7 1/20 0.38

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
SCHEMBL4414424 0.80 TNF (0.56) TNF
SCHEMBL3401964 0.80 TNF (0.45) TNFCREBBPMEN1KMT2ATUBB4A
SCHEMBL6754124 0.75 TNF (0.45) TNFCREBBPTUBB4ATUBBTUBA3C
SCHEMBL2123060 0.72 MGAM (0.46) TNFCREBBPTUBB4ATUBBTUBA3C
SCHEMBL7430918 0.71 TNF (0.51) TNFCREBBPMEN1KMT2AKAT2B
SCHEMBL16363382 0.69 FGFR1 (0.43) KAT2BMTNR1AMTNR1BKDM4EALDH1A1
SCHEMBL24476442 0.68 HDAC1 (0.43) TNFKAT2BMTNR1AMTNR1BMAPT
SCHEMBL18463253 0.68 CYP1A2 (0.42) TNFHSP90AA1HPGD
SCHEMBL2747904 0.68 TNF (0.42) TNFCREBBPMEN1KMT2AKAT2B
SCHEMBL2123687 0.67 TNF (0.42) TNFCREBBPKMT2ATUBB4ATUBB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2014659-A1 New hybrid compounds of nucleobases and organic redox molecules and their use Universität Osnabrück (DE) 2009-01-14 EP disclosed