SCHEMBL44745

SCHEMBL44745

Cc1cn2cc(-c3cccc(-c4noc(C(F)(F)F)n4)c3)nc2s1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 15/20 0.41
HDAC4 P56524 12/20 0.41
HDAC8 Q9BY41 9/20 0.41
HDAC7 Q8WUI4 3/20 0.41
HDAC9 Q9UKV0 3/20 0.41
HDAC5 Q9UQL6 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
HDAC1 Q13547 9/20 0.40
HDAC2 Q92769 2/20 0.38
HDAC3 O15379 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
CYP19A1 P11511 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
SCHEMBL44333 0.85 L3MBTL1 (0.58) L3MBTL1CYP19A1
SCHEMBL44571 0.80 NOTUM (0.47) L3MBTL1CYP19A1
SCHEMBL44368 0.79 SMN1; SMN2 (0.43) L3MBTL1
SCHEMBL18824382 0.77 HDAC6 (0.59) HDAC6HDAC4HDAC8HDAC5L3MBTL1
SCHEMBL44466 0.76 BACE1 (0.48) HDAC6HDAC4HDAC7HDAC9HDAC5
SCHEMBL44399 0.76 KCNH2 (0.40) CYP19A1
SCHEMBL44656 0.74 MAPT (0.41)
SCHEMBL12377809 0.73 HDAC6 (0.59) HDAC6HDAC4HDAC8L3MBTL1HDAC1
SCHEMBL3667489 0.72 F2RL3 (0.54) CYP19A1
SCHEMBL44586 0.72 HDAC6 (0.43) HDAC6HDAC4HDAC8HDAC7HDAC9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011137587-A1 CYTOKINE INHIBITORS HUTCHISON MEDIPHARMA LIMITED (CN) 2011-11-10 WO claimed
WO-2011137587-A1 CYTOKINE INHIBITORS HUTCHISON MEDIPHARMA LIMITED (CN) 2011-11-10 WO disclosed
WO-2011137587-A1 CYTOKINE INHIBITORS HUTCHISON MEDIPHARMA LIMITED (CN) 2011-11-10 WO disclosed