SCHEMBL27836778

SCHEMBL27836778

CC(C=O)c1cnc(N)nc1

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 1/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.32

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
SCHEMBL27832416 0.78 TYR (0.31) —
SCHEMBL27580957 0.78 NOS3 (0.42) HDAC1HDAC6
SCHEMBL27536652 0.75 ALDH1A1 (0.42) —
SCHEMBL28745225 0.75 GRM5 (0.35) —
SCHEMBL10588374 0.74 HDAC1 (0.32) HDAC1HDAC6
SCHEMBL10588530 0.74 HDAC1 (0.32) HDAC1HDAC6
SCHEMBL84396 0.74 HSP90AA1 (0.36) HDAC1HDAC6
SCHEMBL27922985 0.73 CYP19A1 (0.34) —
SCHEMBL4317136 0.72 ADRB2 (0.37) HDAC1HDAC6
SCHEMBL27654525 0.71 KMT2A (0.37) HDAC1HDAC6

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
CN-102105170-A Antifungal combination therapy F2G LTD 2011-06-22 — — CN disclosed
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