SCHEMBL28216060

SCHEMBL28216060

N=C(N)c1ccccc1-c1ccc(F)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 1/20 0.53
▸ SLC6A3 Q01959 1/20 0.53
▸ BCAT2 O15382 1/20 0.46
▸ PTGS2 P35354 2/20 0.44
▸ PTGS1 P23219 1/20 0.44
▸ TUBB4A P04350 3/20 0.40
▸ TUBB P07437 3/20 0.40
▸ TUBA3C P0DPH7 3/20 0.40
▸ TUBA1B P68363 3/20 0.40
▸ TUBA4A P68366 3/20 0.40
▸ TUBB4B P68371 3/20 0.40
▸ TUBB3 Q13509 3/20 0.40
▸ TUBB2A Q13885 3/20 0.40
▸ TUBB8 Q3ZCM7 3/20 0.40
▸ TUBA3E Q6PEY2 3/20 0.40
▸ TUBA1A Q71U36 3/20 0.40
▸ TUBA1C Q9BQE3 3/20 0.40
▸ TUBB6 Q9BUF5 3/20 0.40
▸ TUBB2B Q9BVA1 3/20 0.40
▸ TUBB1 Q9H4B7 3/20 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
SCHEMBL7862971 0.84 SLC6A4 (0.41) SLC6A4SLC6A3BCAT2PTGS2PTGS1
SCHEMBL32689453 0.84 BCAT2 (0.63) BCAT2WDR5LMNAF2F10
SCHEMBL1034554 0.84 BCAT2 (0.63) BCAT2WDR5LMNAF2F10
Hydrochloric Acid SCHEMBL27450056 0.82 BCAT2 (0.61) BCAT2WDR5LMNAF2F10
Ammonia Solution, Strong SCHEMBL29131061 0.82 BCAT2 (0.61) BCAT2WDR5LMNAF2F10
Hydrochloric Acid SCHEMBL31621742 0.82 BCAT2 (0.61) BCAT2WDR5LMNAF2F10
SCHEMBL7151686 0.82 BCAT2 (0.55) BCAT2WDR5LMNAF2F10
SCHEMBL28216062 0.81 SLC6A3 (0.51) SLC6A3BCAT2WDR5MAPTGRM2
SCHEMBL8328534 0.81 SLC6A4 (0.53) SLC6A4SLC6A3BCAT2PTGS2PTGS1
SCHEMBL2567641 0.81 BCAT2 (0.71) SLC6A4SLC6A3BCAT2PTGS2PTGS1

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
CN-108084110-A 3- amino benzo [d] isothiazole, derivative and its synthetic method 湘潭大学 2018-05-29 — — CN claimed
CN-108084110-A 3- amino benzo [d] isothiazole, derivative and its synthetic method 湘潭大学 2018-05-29 — — CN disclosed
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