SCHEMBL27990398

SCHEMBL27990398

COc1cc2ccccc2c(-c2cccs2)c1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 2/20 0.50
▸ TDO2 P48775 2/20 0.50
▸ TUBB4A P04350 4/20 0.49
▸ TUBB P07437 4/20 0.49
▸ TUBA3C P0DPH7 4/20 0.49
▸ TUBA1B P68363 4/20 0.49
▸ TUBA4A P68366 4/20 0.49
▸ TUBB4B P68371 4/20 0.49
▸ TUBB3 Q13509 4/20 0.49
▸ TUBB2A Q13885 4/20 0.49
▸ TUBB8 Q3ZCM7 4/20 0.49
▸ TUBA3E Q6PEY2 4/20 0.49
▸ TUBA1A Q71U36 4/20 0.49
▸ TUBA1C Q9BQE3 4/20 0.49
▸ TUBB6 Q9BUF5 4/20 0.49
▸ TUBB2B Q9BVA1 4/20 0.49
▸ TUBB1 Q9H4B7 4/20 0.49
▸ PDE4C Q08493 1/20 0.47
▸ ALDH1A1 P00352 6/20 0.47
▸ SMN1; SMN2 Q16637 4/20 0.47

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
SCHEMBL26259279 0.80 MAPT (0.66) IDO1TDO2ALDH1A1SMN1; SMN2RPS6KB2
SCHEMBL3331862 0.78 TUBB4A (0.54) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL6299090 0.77 ACHE (0.49) ALDH1A1SMN1; SMN2RPS6KB2KDM4EHPGD
SCHEMBL6130225 0.75 MAPT (0.73) IDO1TDO2ALDH1A1SMN1; SMN2KDM4E
SCHEMBL29428421 0.74 MAPT (0.51) ALDH1A1SMN1; SMN2KDM4EHPGDMAPT
SCHEMBL2698582 0.74 MAPT (0.51) ALDH1A1SMN1; SMN2KDM4EHPGDMAPT
SCHEMBL26259457 0.74 RPS6KB2 (0.46) IDO1TDO2TUBB4ATUBBTUBA3C
SCHEMBL2889415 0.73 MAOA (0.58) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL14310051 0.73 RPS6KB2 (0.53) ALDH1A1SMN1; SMN2RPS6KB2KDM4EHPGD
SCHEMBL28147834 0.73 SMN1; SMN2 (0.66) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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
CN-103333093-B Synthesis method of 1-arylsulfenylnaphthalene compound UNIV WENZHOU 2014-12-10 — — CN disclosed
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