SCHEMBL10876993

SCHEMBL10876993

COc1nc(OC)nc(N(C)C(=O)NS(=O)(=O)c2ccccc2SC(F)F)n1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
AGTR1 P30556 9/20 0.32
AGTR2 P50052 9/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
CYP1A2 P05177 1/20 0.30
GAA P10253 1/20 0.30
HIF1A Q16665 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
SCHEMBL10880969 0.94 TSHR (0.35) MEN1KMT2AATML3MBTL1AGTR1
SCHEMBL10876985 0.88 SMN1; SMN2 (0.38) GAA
SCHEMBL10875513 0.85 MEN1 (0.36) MEN1KMT2AATML3MBTL1ALDH1A1
SCHEMBL10880864 0.85 SMN1; SMN2 (0.46) MEN1KMT2AALDH1A1TSHRCYP1A2
SCHEMBL10875959 0.84 MEN1 (0.38) MEN1KMT2AATML3MBTL1ALDH1A1
SCHEMBL8441174 0.82 MEN1 (0.36) MEN1KMT2AATML3MBTL1
SCHEMBL10890810 0.81 KMT2A (0.40) MEN1KMT2AATML3MBTL1ALDH1A1
SCHEMBL10749633 0.81 MEN1 (0.40) MEN1KMT2AATML3MBTL1ALDH1A1
SCHEMBL11064642 0.80 MEN1 (0.53) MEN1KMT2AATML3MBTL1ALDH1A1
SCHEMBL10504586 0.80 MEN1 (0.42) MEN1KMT2AATML3MBTL1ALDH1A1

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-H168-H Herbicidal sulfonamides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1986-12-02 US claimed
US-H168-H Herbicidal sulfonamides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1986-12-02 US disclosed