SCHEMBL11738802

SCHEMBL11738802

C=Cc1cnc(C)c(O)c1C(S)C(=O)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.36
▸ GLA P06280 1/20 0.36
▸ STAT1 P42224 1/20 0.36
▸ LMNA P02545 3/20 0.33
▸ PDXK O00764 1/20 0.33
▸ CES2 O00748 1/20 0.33
▸ CES1 P23141 1/20 0.33
▸ P2RX3 P56373 2/20 0.32
▸ GSTO1 P78417 1/20 0.32
▸ S1PR2 O95136 1/20 0.32
▸ S1PR4 O95977 1/20 0.32
▸ S1PR3 Q99500 1/20 0.32
▸ AKT1 P31749 1/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ TSHR P16473 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ HSP90AA1 P07900 1/20 0.31
▸ ATM Q13315 1/20 0.31

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
SCHEMBL11013147 0.75 PDXK (0.41) LMNAPDXKALDH1A1KMT2A
SCHEMBL11013377 0.72 PDXK (0.44) LMNAPDXKALDH1A1KMT2A
SCHEMBL11014520 0.69 CYP1A2 (0.36) MAPTLMNAPDXKP2RX3ALDH1A1
SCHEMBL11015245 0.65 PDXK (0.39) MAPTLMNAPDXKALDH1A1KMT2A
SCHEMBL11017547 0.65 PDXK (0.42) MAPTLMNAPDXKALDH1A1SMN1; SMN2
SCHEMBL7542397 0.65 SLC6A2 (0.42) MAPTLMNACES2CES1ALDH1A1
Methane SCHEMBL11010980 0.65 PDXK (0.49) LMNAPDXKP2RX3ALDH1A1KMT2A
SCHEMBL11011837 0.64 KDM4E (0.57) MAPTLMNAPDXKP2RX3ALDH1A1
SCHEMBL11011501 0.63 PDXK (0.35) MAPTLMNAPDXKALDH1A1SMN1; SMN2
SCHEMBL8445181 0.62 CES1 (0.60) MAPTLMNACES2CES1ALDH1A1

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-4053606-A ANTIINFLAMMATORY AND ANTIARTHRITIC AGENTS MERCK & CO., INC. (US) 1977-10-11 — — US disclosed
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