SCHEMBL29957700

SCHEMBL29957700

Cc1cc(S(=O)(=O)N2CCOCC2)ccc1B(O)O

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.68
SMN1; SMN2 Q16637 1/20 0.68
APEX1 P27695 1/20 0.58
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
ALDH1A1 P00352 2/20 0.55
POLB P06746 1/20 0.55
GAA P10253 2/20 0.54
KDM4E B2RXH2 2/20 0.53
HSD17B10 Q99714 2/20 0.53
CASP1 P29466 1/20 0.53
HPGD P15428 1/20 0.53
ABL1 P00519 1/20 0.53
RIN1 Q13671 1/20 0.53
PABPC1 P11940 1/20 0.53
APOBEC3A P31941 1/20 0.53
APOBEC3G Q9HC16 1/20 0.53

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
SCHEMBL15751065 1.00 TSHR (0.68) TSHRSMN1; SMN2APEX1MEN1KMT2A
SCHEMBL3409012 0.90 TSHR (0.65) TSHRSMN1; SMN2APEX1MEN1KMT2A
SCHEMBL29955875 0.90 TSHR (0.65) TSHRSMN1; SMN2APEX1MEN1KMT2A
SCHEMBL16195679 0.86 ALDH1A1 (0.64) TSHRSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL29957788 0.86 ALDH1A1 (0.64) TSHRSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL29957713 0.85 MEN1 (0.64) TSHRSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL12757098 0.84 SMN1; SMN2 (0.75) TSHRSMN1; SMN2APEX1MEN1KMT2A
SCHEMBL25160259 0.84 SMN1; SMN2 (0.66) TSHRSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL30349891 0.84 SMN1; SMN2 (0.66) TSHRSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL12218547 0.84 TSHR (0.69) TSHRSMN1; SMN2APEX1MEN1KMT2A

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