SCHEMBL10927399

SCHEMBL10927399

O=C(c1ccc(F)cc1)c1cc(CN2CCN(CCO)CC2)on1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.39
▸ LMNA P02545 2/20 0.39
▸ PRKAA2 P54646 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.38

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
SCHEMBL10924892 0.85 LMNA (0.51) TSHRLMNASMN1; SMN2THRB
SCHEMBL10926867 0.83 MEN1 (0.49) LMNA
SCHEMBL10927393 0.83 LMNA (0.43) TSHRLMNASMN1; SMN2THRB
SCHEMBL10928252 0.83 TP53 (0.50) TSHRLMNASMN1; SMN2
SCHEMBL10922803 0.80 MEN1 (0.57) LMNA
SCHEMBL10926212 0.79 MEN1 (0.47) —
SCHEMBL10923780 0.78 MEN1 (0.55) LMNASMN1; SMN2
SCHEMBL10924399 0.78 THRB (0.46) TSHRLMNASMN1; SMN2THRB
SCHEMBL10930339 0.78 MAPK1 (0.40) TSHRLMNAHRH3
SCHEMBL10923157 0.77 LMNA (0.55) LMNASMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4562187-A HYPOTENSIVE AGENTS, ANTIINFLAMMATORY, AGENTS, AND ANALGESICS HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1985-12-31 — — US claimed
EP-0189771-A3 (ISOXAZOL-3-YL)ARYLMETHANONES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1986-10-08 — — EP disclosed
EP-0189771-A2 (Isoxazol-3-yl)arylmethanones, a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1986-08-06 — — EP disclosed
US-4562187-A HYPOTENSIVE AGENTS, ANTIINFLAMMATORY, AGENTS, AND ANALGESICS HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1985-12-31 — — US disclosed
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