SCHEMBL1615434

SCHEMBL1615434

O=S(=O)(Nc1cccc2nc(N[C@@H]3CCc4ccccc43)ccc12)c1ccc(Cl)s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKBIA P25963 2/20 0.42
RELA Q04206 2/20 0.42
KMT2A Q03164 5/20 0.41
MEN1 O00255 4/20 0.41
LMNA P02545 3/20 0.41
HTT P42858 2/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
PTGES2 Q9H7Z7 1/20 0.41
SCN1A P35498 2/20 0.40
SCN5A Q14524 2/20 0.40
SCN8A Q9UQD0 2/20 0.40
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MCOLN3 Q8TDD5 2/20 0.40
S1PR4 O95977 1/20 0.40
TP53 P04637 1/20 0.40
PKM P14618 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40

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
SCHEMBL2242607 0.81 GBA1 (0.40) LMNASCN1ASCN5ASCN8ASMN1; SMN2
SCHEMBL1616346 0.81 MEN1 (0.46) KMT2AMEN1LMNASCN1ASCN5A
SCHEMBL2919481 0.80 SCN1A (0.41) LMNASCN1ASCN5ASCN8ASMN1; SMN2
SCHEMBL1616265 0.80 SCN1A (0.41) LMNASCN1ASCN5ASCN8ASMN1; SMN2
SCHEMBL2926162 0.80 SCN1A (0.41) KMT2AMEN1LMNASCN1ASCN5A
SCHEMBL1615546 0.80 SCN1A (0.41) KMT2AMEN1LMNASCN1ASCN5A
SCHEMBL3844986 0.78 PDPK1 (0.47) FADS1CA2GBA1
SCHEMBL1616405 0.77 GLO1 (0.45) KMT2ALMNASMN1; SMN2ALOX15L3MBTL1
SCHEMBL1616159 0.77 PRKCQ (0.39) KMT2AMEN1LMNASCN1ASCN5A
SCHEMBL1616691 0.76 PFKFB3 (0.39) LMNASCN1ASCN5ASCN8ASMN1; SMN2

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
US-7923561-B2 Quinolines HOFFMANN-LA ROCHE INC. (US) 2011-04-12 US claimed
US-7923561-B2 Quinolines HOFFMANN-LA ROCHE INC. (US) 2011-04-12 US disclosed