SCHEMBL3368343

SCHEMBL3368343

O=C(O)c1cnc(-c2nc(CS(=O)(=O)c3ccccc3)cs2)c(O)c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ EGLN1 Q9GZT9 12/20 0.45
▸ MAPT P10636 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ MCOLN3 Q8TDD5 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ MCL1 Q07820 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ MAPK1 P28482 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ MGAM O43451 1/20 0.36

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
SCHEMBL3368515 0.83 EGLN1 (0.65) EGLN1MAPTMEN1KMT2AMCOLN3
SCHEMBL3371512 0.75 TSHR (0.39) MAPTMEN1KMT2ATSHRHSD17B10
SCHEMBL3369838 0.70 EGLN1 (0.53) EGLN1MAPTALDH1A1SMN1; SMN2
SCHEMBL3369100 0.69 EGLN1 (0.66) EGLN1KMT2A
SCHEMBL12469055 0.68 ALDH1A1 (0.51) MAPTMEN1KMT2ATSHRHSD17B10
SCHEMBL3368397 0.68 EGLN1 (0.71) EGLN1
SCHEMBL3366073 0.68 EGLN1 (0.58) EGLN1SMN1; SMN2
SCHEMBL28807585 0.68 TSHR (0.49) MAPTMEN1KMT2ATSHRHSD17B10
SCHEMBL3371408 0.63 LMNA (0.38) MAPTKMT2ATSHRHSD17B10ALDH1A1
SCHEMBL17472745 0.62 CTNNB1 (0.47) MEN1KMT2ATSHRPOLBHTT

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
WO-2010018458-A2 PHENOL DERIVATIVES AND METHODS OF USE THEREOF CRYSTALGENOMICS, INC. (KR) 2010-02-18 — — WO claimed
WO-2010018458-A2 PHENOL DERIVATIVES AND METHODS OF USE THEREOF CRYSTALGENOMICS, INC. (KR) 2010-02-18 — — WO disclosed
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