SCHEMBL19775404

SCHEMBL19775404

Cc1c(-c2ccc(C(=O)N3CCCN(N)C3)s2)noc1C(C)(F)F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
YEATS4 O95619 1/20 0.37
HDAC1 Q13547 4/20 0.36
HDAC6 Q9UBN7 4/20 0.36
HDAC4 P56524 3/20 0.36
ALDH1A1 P00352 5/20 0.34
HPGD P15428 4/20 0.34
MAPK14 Q16539 2/20 0.34
HDAC3 O15379 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
SPR P35270 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPC1 O15118 3/20 0.32
RAB9A P51151 3/20 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
SCHEMBL19775142 0.88 YEATS4 (0.46) YEATS4HDAC1HDAC6HDAC4ALDH1A1
SCHEMBL21230168 0.87 MAPK14 (0.36) YEATS4HDAC1HDAC6HDAC4ALDH1A1
SCHEMBL19775279 0.83 YEATS4 (0.35) YEATS4HDAC1HDAC6HDAC4ALDH1A1
SCHEMBL19775370 0.83 HPGD (0.50) YEATS4HDAC4ALDH1A1HPGDHTT
SCHEMBL19775117 0.83 NPC1 (0.49) YEATS4HDAC1HDAC6HDAC4ALDH1A1
SCHEMBL19775125 0.82 SPR (0.39) YEATS4HDAC1HDAC6HDAC4ALDH1A1
SCHEMBL20082245 0.82 P2RY14 (0.39) YEATS4HDAC1HDAC6HDAC4ALDH1A1
SCHEMBL21230205 0.82 RECQL (0.42) YEATS4ALDH1A1HPGDMAPK14SMN1; SMN2
SCHEMBL21230194 0.81 RAB9A (0.42) YEATS4ALDH1A1HPGDMAPK14SMN1; SMN2
SCHEMBL19775106 0.81 HPGD (0.45) YEATS4HDAC1HDAC6HDAC4ALDH1A1

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
EP-2182809-B1 THERAPEUTIC ISOXAZOLE COMPOUNDS DART NEUROSCIENCE (CAYMAN) LTD (KY) 2018-01-17 EP disclosed