SCHEMBL8960580

SCHEMBL8960580

CCS(=O)(=O)c1nc(S(=O)(=O)CC)nc(S(=O)(=O)CC)n1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PSIP1 O75475 2/20 0.38
SDHB P21912 1/20 0.35
GAA P10253 1/20 0.33
RIPK1 Q13546 3/20 0.33
KDM4E B2RXH2 1/20 0.32
ALPL P05186 1/20 0.32
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30
PAX8 Q06710 1/20 0.30
TLR9 Q9NR96 1/20 0.30

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
SCHEMBL28406247 0.87 SDHB (0.31) PSIP1SDHB
SCHEMBL11373268 0.77 ALDH1A1 (0.38) PSIP1SDHBRIPK1KDM4ETP53
SCHEMBL10354234 0.74 LMNA (0.36) RIPK1TP53MAPTTHRBSMN1; SMN2
SCHEMBL28384733 0.72 CA12 (0.35) PSIP1KDM4EALPLTP53SMN1; SMN2
SCHEMBL10727966 0.71 COMT (0.43) PSIP1GAARIPK1KDM4ETP53
SCHEMBL11109953 0.71 HTT (0.38) SDHBTP53MAPTTHRBSMN1; SMN2
SCHEMBL11319484 0.69 ALDH1A1 (0.40) GAAMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL5609765 0.68 PSIP1 (0.34) PSIP1GAAMAPTKMT2A
SCHEMBL16608697 0.67 MAPT (0.35) PSIP1SDHBGAARIPK1KDM4E
SCHEMBL10872794 0.67 NPSR1 (0.44) PSIP1TP53MAPTTHRBSMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0694588-A1 Triphendioxazine reactive dyes, preparation and use thereof BAYER AG (DE) 1996-01-31 EP disclosed
US-4912244-A Vinylsulfonylalkylamino-alkylamines as intermediates for the preparation of fiber-reactive dyes CIBA-GEIGY CORPORATION (US) 1990-03-27 US disclosed
US-4782140-A Triazinyl reactive dyes containing additional fiber reactive groups bound through the sulfonylalkylaminoalkylamino bridge CIBA-GIEGY CORPORATION (US) 1988-11-01 US disclosed
US-4754023-A Reactive dyestuffs comprising a triazine moiety and a vinylsulfonyl moiety both being linked by a substituted alkylene bridge member CIBA-GEIGY CORPORATION (US) 1988-06-28 US disclosed