SCHEMBL808249

SCHEMBL808249

C=C(/N=C(N)\N=C(/N)c1noc(-c2ccc(COCC(F)(F)F)cn2)n1)Nc1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 1/20 0.30

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
SCHEMBL808247 0.85 STAT3 (0.30)
SCHEMBL808244 0.85 HDAC6 (0.34) HDAC1
SCHEMBL808240 0.73 HDAC6 (0.35) HDAC4HDAC1
SCHEMBL10287533 0.72 ADRA2A (0.33)
SCHEMBL795599 0.71 KMT2A (0.39) HDAC4HDAC1
SCHEMBL10287123 0.69 POLB (0.41) HDAC1
SCHEMBL808017 0.67
SCHEMBL10287199 0.66 GABRA5 (0.39) HDAC4HDAC1
SCHEMBL10287136 0.64 ALDH1A1 (0.41)
SCHEMBL808161 0.61 HDAC4 (0.32) HDAC4

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
WO-2012035023-A1 TRIAZINE-OXADIAZOLES NOVARTIS AG (CH) 2012-03-22 WO disclosed