SCHEMBL14918033

SCHEMBL14918033

CN1CCN(c2ccc(-c3ccnc(NCc4ncc(-c5noc(C(F)(F)F)n5)cn4)n3)cn2)CC1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 11/20 0.49
HDAC6 Q9UBN7 18/20 0.49
HDAC8 Q9BY41 9/20 0.49
ZAP70 P43403 1/20 0.47
HDAC4 P56524 7/20 0.46
HDAC2 Q92769 1/20 0.45

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
SCHEMBL14918664 0.92 HDAC1 (0.57) HDAC1HDAC6HDAC8ZAP70HDAC4
SCHEMBL14917948 0.91 HDAC8 (0.55) HDAC1HDAC6HDAC8
SCHEMBL14917879 0.91 HDAC1 (0.50) HDAC1HDAC6HDAC8ZAP70HDAC4
SCHEMBL14918077 0.82 HDAC6 (0.58) HDAC1HDAC6HDAC8ZAP70HDAC4
SCHEMBL14918323 0.81 HDAC8 (0.55) HDAC1HDAC6HDAC8
SCHEMBL14918257 0.81 HDAC6 (0.50) HDAC1HDAC6HDAC8HDAC4
SCHEMBL14918586 0.80 HDAC6 (0.50) HDAC1HDAC6HDAC8HDAC4
SCHEMBL14918853 0.79 HDAC6 (0.50) HDAC1HDAC6HDAC8HDAC4
SCHEMBL14918060 0.78 HDAC6 (0.52) HDAC1HDAC6HDAC8HDAC4
SCHEMBL14918679 0.78 HDAC6 (0.56) HDAC1HDAC6HDAC8HDAC4HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013066839-A2 COMPOUNDS AND METHODS GLAXOSMITHKLINE LLC (US) 2013-05-10 WO claimed
WO-2013066839-A2 COMPOUNDS AND METHODS GLAXOSMITHKLINE LLC (US) 2013-05-10 WO disclosed