SCHEMBL7671685

SCHEMBL7671685

COc1ccc(CCc2[c]ccc(SC)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.47
ALDH1A1 P00352 2/20 0.43
TUBB4A P04350 1/20 0.43
TUBB P07437 1/20 0.43
TUBA3C P0DPH7 1/20 0.43
TUBA1B P68363 1/20 0.43
TUBA4A P68366 1/20 0.43
TUBB4B P68371 1/20 0.43
TUBB3 Q13509 1/20 0.43
TUBB2A Q13885 1/20 0.43
TUBB8 Q3ZCM7 1/20 0.43
TUBA3E Q6PEY2 1/20 0.43
TUBA1A Q71U36 1/20 0.43
TUBA1C Q9BQE3 1/20 0.43
TUBB6 Q9BUF5 1/20 0.43
TUBB2B Q9BVA1 1/20 0.43
TUBB1 Q9H4B7 1/20 0.43
CALM1 P0DP23 2/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL28324258 0.87 LTA4H (0.42) GAAALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL7671780 0.79 TUBB4A (0.45) ALDH1A1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL7669645 0.77 MAOB (0.44) ALDH1A1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL7670806 0.77 TUBB4A (0.43) ALDH1A1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL7673825 0.77 CALM1 (0.53) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL7669559 0.76 MAOB (0.45) GAATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL7676584 0.76 HTT (0.40) GAAALDH1A1TUBB4ATUBBTUBA3C
SCHEMBL7670255 0.75 ALDH1A1 (0.43) GAAALDH1A1TUBB4ATUBBTUBA3C
SCHEMBL7675265 0.74 LTA4H (0.50) ALDH1A1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL28876987 0.74 APLNR (0.45) GAAALDH1A1CYP1A1CYP1A2CYP1B1

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
US-6395730-B1 CARDIOVASCULAR DISORDERS ICAGEN, INC. 2002-05-28 US disclosed
US-6174908-B1 TREATING DISEASE, CONDITION, OR DISORDER WHICH RESPONDS TO INHIBITION OF POTASSIUM CHANNEL FUNCTION BY ADMINISTERING THIAZOLIDONE OR METATHIAZONONE COMPOUND, ITS SALT, AMIDE, ESTER, COMPLEX, CHELATE, HYDRATE, STEREOISOMER, METABOLITE ICAGEN, INC. 2001-01-16 US disclosed