SCHEMBL9870443

SCHEMBL9870443

OC(=S)c1cnccc1Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FTO Q9C0B1 4/20 0.52
KDM6B O15054 2/20 0.52
ALKBH2 Q6NS38 1/20 0.52
ALKBH3 Q96Q83 1/20 0.52
KDM5B Q9UGL1 1/20 0.52
KDM2A Q9Y2K7 1/20 0.52
KDM3A Q9Y4C1 1/20 0.52
CYP11B1 P15538 2/20 0.45
CYP11B2 P19099 2/20 0.45
BCL2 P10415 1/20 0.40
BCL2L1 Q07817 1/20 0.40
KEAP1 Q14145 1/20 0.40
LSS P48449 1/20 0.39
KDM4E B2RXH2 1/20 0.39
KDM4A O75164 1/20 0.39
KDM4D Q6B0I6 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
ALDH1A1 P00352 1/20 0.38
MET P08581 1/20 0.37

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
SCHEMBL9869588 0.86 CYP11B1 (0.45) FTOKDM6BALKBH2ALKBH3KDM5B
SCHEMBL9868876 0.83 FTO (0.50) FTOKDM6BALKBH2ALKBH3KDM5B
SCHEMBL258224 0.83 KDM6B (0.59) FTOKDM6BALKBH2ALKBH3KDM5B
SCHEMBL9870441 0.80 FTO (0.56) FTOKDM6BALKBH2ALKBH3KDM5B
SCHEMBL5597331 0.77 TSHR (0.52) BCL2BCL2L1ALDH1A1
SCHEMBL4849854 0.77 BCL2 (0.53) FTOKDM6BALKBH2ALKBH3KDM5B
SCHEMBL6491004 0.76 FTO (0.56) FTOKDM6BALKBH2ALKBH3KDM5B
SCHEMBL9868870 0.76 FTO (0.53) FTOKDM6BALKBH2ALKBH3KDM5B
SCHEMBL5109030 0.75 CYP11B1 (0.47) FTOKDM6BALKBH2ALKBH3KDM5B
SCHEMBL5110350 0.75 CYP11B1 (0.47) FTOKDM6BALKBH2ALKBH3KDM5B

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5006532-A Enzyme inhibitor; antiinflammatory agents MERCK & CO. INC., INC. (US) 1991-04-09 US disclosed
US-4904672-A Derivatives of 3-hydroxyazabenzo[b]thiophene useful as 5-lipoxygenase inhibitors MERCK & CO., INC. (US) 1990-02-27 US disclosed
US-4767766-A Derivatives of 3-hydroxyazabenzo(B)thiophene useful as 5-lipoxygenase inhibitors MERCK & CO., INC. (US) 1988-08-30 US disclosed