SCHEMBL29957713

SCHEMBL29957713

Cc1cc(S(=O)(=O)N2CCCCC2)ccc1B(O)O

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.64
KMT2A Q03164 3/20 0.64
ALDH1A1 P00352 2/20 0.62
PKM P14618 2/20 0.62
USP2 O75604 1/20 0.58
MCOLN3 Q8TDD5 4/20 0.57
CRHBP P24387 1/20 0.57
CRHR2 Q13324 1/20 0.57
LMNA P02545 1/20 0.55
TSHR P16473 3/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.51
HSD17B10 Q99714 2/20 0.51
KDM4E B2RXH2 1/20 0.51

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
SCHEMBL16195679 0.98 ALDH1A1 (0.64) MEN1KMT2AALDH1A1PKMUSP2
SCHEMBL29957788 0.98 ALDH1A1 (0.64) MEN1KMT2AALDH1A1PKMUSP2
SCHEMBL15165018 0.88 ALDH1A1 (0.65) MEN1KMT2AALDH1A1PKMUSP2
SCHEMBL16337458 0.86 ALDH1A1 (0.67) MEN1KMT2AALDH1A1PKMUSP2
SCHEMBL15751065 0.85 TSHR (0.68) MEN1KMT2AALDH1A1TSHRSMN1; SMN2
SCHEMBL29957700 0.85 TSHR (0.68) MEN1KMT2AALDH1A1TSHRSMN1; SMN2
SCHEMBL16492273 0.79 MEN1 (0.66) MEN1KMT2AALDH1A1PKMUSP2
SCHEMBL14501508 0.79 MEN1 (0.66) MEN1KMT2AALDH1A1PKMUSP2
SCHEMBL17790336 0.78 ALDH1A1 (0.66) MEN1KMT2AALDH1A1PKMUSP2
SCHEMBL14419475 0.78 ALDH1A1 (0.66) MEN1KMT2AALDH1A1PKMUSP2

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