SCHEMBL9359079

SCHEMBL9359079

NC1Sc2ccccc2N1Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 4/20 0.44
▸ EHMT2 Q96KQ7 1/20 0.43
▸ PPARG P37231 1/20 0.41
▸ TP53 P04637 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ BRD4 O60885 1/20 0.36
▸ KDM1A O60341 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ LMNA P02545 1/20 0.35
▸ ALOX12 P18054 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ BCHE P06276 1/20 0.35
▸ ACHE P22303 1/20 0.35
▸ SIGMAR1 Q99720 1/20 0.35
▸ MTNR1A P48039 3/20 0.35

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
SCHEMBL9358633 0.83 HRH3 (0.39) GSK3BALDH1A1BCHEACHESIGMAR1
SCHEMBL5256493 0.83 EHMT2 (0.38) GSK3BEHMT2SMN1; SMN2MEN1KMT2A
SCHEMBL21803243 0.79 GSK3B (0.44) GSK3BEHMT2PPARGTP53SMN1; SMN2
SCHEMBL29106717 0.79 GSK3B (0.44) GSK3BEHMT2PPARGTP53SMN1; SMN2
SCHEMBL9305366 0.79 ALDH1A1 (0.37) GSK3BPPARGSMN1; SMN2KDM1AALDH1A1
SCHEMBL31571120 0.79 ALDH1A1 (0.37) GSK3BPPARGSMN1; SMN2KDM1AALDH1A1
Iodide SCHEMBL28993212 0.78 GSK3B (0.43) GSK3BEHMT2PPARGTP53SMN1; SMN2
SCHEMBL29221320 0.76 GSK3B (0.45) GSK3BEHMT2PPARGTP53SMN1; SMN2
SCHEMBL6936002 0.73 BCHE (0.41) PPARGSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL25381130 0.73 PPARG (0.42) GSK3BEHMT2PPARGTP53SMN1; SMN2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0282971-B1 Substituted 2-aminobenzothiazoles and derivatives useful as cerebrovascular agents WARNER LAMBERT CO (US) 1994-12-28 — — EP disclosed
US-4971983-A Use as anesthetics in surgery where a risk of cerebrovascular damage exists; e.g. riluzole WARNER-LAMBERT COMPANY (US) 1990-11-20 — — US disclosed
US-4918090-A ADMINISTERING TO STROKE PATIENT WARNER-LAMBERT COMPANY (US) 1990-04-17 — — US disclosed
US-4826860-A STROKES WARNER-LAMBERT COMPANY (US) 1989-05-02 — — US disclosed
EP-0282971-A2 Substituted 2-aminobenzothiazoles and derivatives useful as cerebrovascular agents WARNER-LAMBERT COMPANY (US) 1988-09-21 — — EP disclosed
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