SCHEMBL14856430

SCHEMBL14856430

[N-]=[N+]=NCc1ccc(-c2cc[c]cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 2/20 0.36
▸ HDAC2 Q92769 2/20 0.36
▸ HDAC3 O15379 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ S1PR1 P21453 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
SCHEMBL14856711 0.88 HDAC3 (0.36) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL15233019 0.88 HDAC1 (0.41) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL14189703 0.81 HDAC3 (0.45) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL16639002 0.80 TAAR1 (0.45) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL24437513 0.78 HRH3 (0.56) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL17469523 0.78 HDAC3 (0.43) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL17804399 0.76 HDAC3 (0.44) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL15590854 0.74 HDAC3 (0.41) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL15590852 0.74 HDAC3 (0.41) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL17080226 0.74 ATM (0.41) HDAC1HDAC2HDAC3HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1696907-B1 PDK-1/AKT SIGNALING INHIBITORS UNIV OHIO STATE RES FOUND (US) 2013-04-17 — — EP claimed
CN-1889949-B PDK-1/Akt signaling inhibitors UNIV OHIO STATE RES FOUND 2010-06-16 — — CN claimed
CN-1889949-A PDK-1/Akt signaling inhibitors UNIV OHIO STATE RES FOUND (US) 2007-01-03 — — CN claimed
CN-1889949-B PDK-1/Akt signaling inhibitors UNIV OHIO STATE RES FOUND 2010-06-16 — — CN disclosed
CN-1889949-A PDK-1/Akt signaling inhibitors UNIV OHIO STATE RES FOUND (US) 2007-01-03 — — CN disclosed
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