SCHEMBL8684541

SCHEMBL8684541

NC(=S)N1CCc2cc(Br)ccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC22A12 Q96S37 1/20 0.51
▸ ABHD6 Q9BV23 1/20 0.50
▸ TUBB4A P04350 1/20 0.48
▸ TUBB P07437 1/20 0.48
▸ TUBA3C P0DPH7 1/20 0.48
▸ TUBA1B P68363 1/20 0.48
▸ TUBA4A P68366 1/20 0.48
▸ TUBB4B P68371 1/20 0.48
▸ TUBB3 Q13509 1/20 0.48
▸ TUBB2A Q13885 1/20 0.48
▸ TUBB8 Q3ZCM7 1/20 0.48
▸ TUBA3E Q6PEY2 1/20 0.48
▸ TUBA1A Q71U36 1/20 0.48
▸ TUBA1C Q9BQE3 1/20 0.48
▸ TUBB6 Q9BUF5 1/20 0.48
▸ TUBB2B Q9BVA1 1/20 0.48
▸ TUBB1 Q9H4B7 1/20 0.48
▸ HSD17B3 P37058 3/20 0.43
▸ ROCK1 Q13464 1/20 0.43
▸ PDK1 Q15118 1/20 0.43

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
SCHEMBL288802 0.78 SLC22A12 (0.59) SLC22A12ABHD6TUBB4ATUBBTUBA3C
SCHEMBL397314 0.77 NOTUM (0.69) SLC22A12ABHD6TUBB4ATUBBTUBA3C
SCHEMBL30021086 0.77 NOTUM (0.69) SLC22A12ABHD6TUBB4ATUBBTUBA3C
SCHEMBL2163363 0.75 SIGMAR1 (0.61) NOTUMMEN1NPC1KMT2A
SCHEMBL23064005 0.74 SLC22A12 (0.56) SLC22A12ABHD6TUBB4ATUBBTUBA3C
SCHEMBL3023754 0.74 SIRT2 (0.52) NPC1KMT2A
SCHEMBL18921803 0.73 ABHD6 (0.64) SLC22A12ABHD6TUBB4ATUBBTUBA3C
SCHEMBL18763042 0.73 SLC22A12 (0.58) SLC22A12ABHD6TUBB4ATUBBTUBA3C
SCHEMBL2083808 0.73 ABHD6 (0.64) SLC22A12ABHD6TUBB4ATUBBTUBA3C
SCHEMBL20424481 0.73 TSHR (0.63) SLC22A12ABHD6TUBB4ATUBBTUBA3C

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-5705515-A HAVING REDUCED SIDE EFFECTS MERCK & CO., INC. (US) 1998-01-06 — — US disclosed
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