SCHEMBL788751

SCHEMBL788751

Fc1cccc(Nc2nccs2)c1Cl

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
TDP1 Q9NUW8 1/20 0.54
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
GAA P10253 2/20 0.44
HPGD P15428 1/20 0.44
SCN1A P35498 12/20 0.43
SCN5A Q14524 12/20 0.43
SCN8A Q9UQD0 12/20 0.43
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL899333 0.77 ALDH1A1 (0.59) ALDH1A1TDP1MEN1KMT2AGAA
SCHEMBL789349 0.72 ALDH1A1 (0.47) ALDH1A1TDP1MEN1KMT2AGAA
SCHEMBL789292 0.72 SCN1A (0.47) ALDH1A1TDP1MEN1KMT2AGAA
SCHEMBL11159476 0.70 ALDH1A1 (0.59) ALDH1A1TDP1MEN1KMT2AGAA
SCHEMBL9851135 0.70 TDP1 (0.59) ALDH1A1TDP1GAALMNASMN1; SMN2
SCHEMBL31069449 0.70 ALDH1A1 (0.59) ALDH1A1TDP1MEN1KMT2AGAA
SCHEMBL31566949 0.69 SCN1A (0.61) ALDH1A1TDP1SCN1ASCN5ASCN8A
SCHEMBL27700307 0.69 EGFR (0.56) ALDH1A1MEN1KMT2AHPGDLMNA
SCHEMBL5850472 0.69 ALDH1A1 (0.50) ALDH1A1TDP1MEN1KMT2AGAA
SCHEMBL3529264 0.69 ALDH1A1 (0.47) ALDH1A1TDP1MEN1KMT2ASCN1A

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
WO-2012037351-A1 COMPOUNDS GLAXOSMITHKLINE LLC (US) 2012-03-22 WO disclosed