SCHEMBL29954094

SCHEMBL29954094

[C-]#[N+]C(c1ccncc1)S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
NPC1 O15118 1/20 0.43
LMNA P02545 3/20 0.42
HTT P42858 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
PTGS2 P35354 2/20 0.41
ALDH1A1 P00352 3/20 0.40
GAA P10253 5/20 0.39
RAB9A P51151 1/20 0.37
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA12 O43570 1/20 0.36
CA3 P07451 1/20 0.36
CA6 P23280 1/20 0.36
CA5A P35218 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA5B Q9Y2D0 1/20 0.36
NPY2R P49146 1/20 0.36
KDM4E B2RXH2 2/20 0.35

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
SCHEMBL29956006 0.88 GAA (0.45) NPC1LMNAHTTSMN1; SMN2ALDH1A1
SCHEMBL408195 0.83 NPY2R (0.47) KMT2ANPC1LMNAHTTSMN1; SMN2
SCHEMBL29952726 0.82 ALDH1A1 (0.49) KMT2ALMNASMN1; SMN2PTGS2ALDH1A1
SCHEMBL1308951 0.82 ALDH1A1 (0.49) KMT2ALMNASMN1; SMN2PTGS2ALDH1A1
SCHEMBL4799859 0.81 ALDH1A1 (0.42) KMT2AHTTSMN1; SMN2ALDH1A1GAA
SCHEMBL4802706 0.81 RAPGEF4 (0.39) KMT2ANPC1LMNAHTTSMN1; SMN2
SCHEMBL29956135 0.81 UTS2R (0.43) KMT2ALMNAHTTSMN1; SMN2ALDH1A1
SCHEMBL992209 0.81 ACHE (0.42) KMT2ALMNAHTTSMN1; SMN2ALDH1A1
SCHEMBL29952320 0.80 ALDH1A1 (0.46) KMT2APTGS2ALDH1A1GAACA1
SCHEMBL4797196 0.78 ALDH1A1 (0.50) KMT2ANPC1LMNAHTTSMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed