SCHEMBL9870441

SCHEMBL9870441

O=C(S)c1cnccc1Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FTO Q9C0B1 6/20 0.56
KDM6B O15054 6/20 0.56
ALKBH2 Q6NS38 1/20 0.56
ALKBH3 Q96Q83 1/20 0.56
KDM5B Q9UGL1 1/20 0.56
KDM2A Q9Y2K7 1/20 0.56
KDM3A Q9Y4C1 1/20 0.56
KDM4C Q9H3R0 6/20 0.43
KDM4D Q6B0I6 3/20 0.43
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
KDM4E B2RXH2 1/20 0.43
KDM4A O75164 1/20 0.43
TSHR P16473 1/20 0.41
NAPRT Q6XQN6 1/20 0.41
TBXAS1 P24557 2/20 0.41
PLA2G7 Q13093 1/20 0.40
EGLN3 Q9H6Z9 1/20 0.40
PTPN1 P18031 2/20 0.40
PTPN2 P17706 1/20 0.40

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
SCHEMBL258224 0.87 KDM6B (0.59) FTOKDM6BALKBH2ALKBH3KDM5B
SCHEMBL6491004 0.80 FTO (0.56) FTOKDM6BALKBH2ALKBH3KDM5B
SCHEMBL9868870 0.80 FTO (0.53) FTOKDM6BALKBH2ALKBH3KDM5B
SCHEMBL9870443 0.80 FTO (0.52) FTOKDM6BALKBH2ALKBH3KDM5B
SCHEMBL5597330 0.79 TSHR (0.58) TSHRPTPN1PTPN2PTPN6
SCHEMBL7109229 0.78 FTO (0.51) FTOKDM6BALKBH2ALKBH3KDM5B
SCHEMBL11628317 0.77 NAPRT (0.53) FTOKDM6BALKBH2ALKBH3KDM5B
SCHEMBL4951259 0.77 KDM4C (0.56) FTOKDM6BALKBH2ALKBH3KDM5B
SCHEMBL1569204 0.74 CDC7 (0.51) FTOKDM6BALKBH2ALKBH3KDM5B
SCHEMBL4849854 0.74 BCL2 (0.53) 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