SCHEMBL21230299

SCHEMBL21230299

Cc1c(-c2ccc(C(=O)N3CCCCC3)s2)noc1C(C)(F)P

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
YEATS4 O95619 1/20 0.45
HPGD P15428 6/20 0.43
ALDH1A1 P00352 5/20 0.43
MAPK14 Q16539 1/20 0.42
HDAC4 P56524 3/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
POLB P06746 1/20 0.40
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
KMT2A Q03164 2/20 0.38
SPR P35270 1/20 0.37
MAPT P10636 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 1/20 0.37
TP53 P04637 1/20 0.37
TSHR P16473 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36

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 0.93 YEATS4 (0.46) YEATS4HPGDALDH1A1MAPK14HDAC4
SCHEMBL3241197 0.91 HPGD (0.44) YEATS4HPGDALDH1A1MAPK14HDAC4
SCHEMBL19775106 0.90 HPGD (0.45) YEATS4HPGDALDH1A1MAPK14HDAC4
SCHEMBL19775370 0.83 HPGD (0.50) YEATS4HPGDALDH1A1HDAC4NPC1
SCHEMBL19775117 0.83 NPC1 (0.49) YEATS4HPGDALDH1A1HDAC4HDAC1
SCHEMBL21230209 0.83 SPR (0.42) YEATS4HPGDALDH1A1MAPK14HDAC4
SCHEMBL20082247 0.83 SPR (0.42) YEATS4HPGDALDH1A1MAPK14HDAC4
SCHEMBL21230284 0.82 SPR (0.39) YEATS4HPGDALDH1A1MAPK14HDAC4
SCHEMBL3249801 0.82 ALDH1A1 (0.47) YEATS4HPGDALDH1A1MAPK14HDAC4
SCHEMBL19775226 0.82 SPR (0.40) YEATS4HPGDALDH1A1MAPK14HDAC4

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-3311813-B1 THERAPEUTIC ISOXAZOLE COMPOUNDS DART NEUROSCIENCE CAYMAN LTD (KY) 2019-08-07 EP disclosed