SCHEMBL10927504

SCHEMBL10927504

N#CCc1nc(C(=O)c2ccc(F)cc2)no1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 0.40
▸ LMNA P02545 4/20 0.40
▸ ALDH1A1 P00352 4/20 0.40
▸ ALPG P10696 2/20 0.40
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ LTA4H P09960 1/20 0.38
▸ HTT P42858 3/20 0.37
▸ MAPT P10636 3/20 0.37
▸ HPGD P15428 3/20 0.37
▸ USP2 O75604 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ HDAC8 Q9BY41 3/20 0.36
▸ HDAC1 Q13547 2/20 0.36
▸ HDAC2 Q92769 2/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ VNN1 O95497 1/20 0.36
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ TSHR P16473 1/20 0.34

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
SCHEMBL10924333 0.86 TSHR (0.40) LMNAALDH1A1MEN1KMT2AHTT
SCHEMBL10925514 0.86 TSHR (0.41) SMN1; SMN2LMNAALDH1A1MEN1KMT2A
SCHEMBL10926890 0.86 KMT2A (0.50) SMN1; SMN2ALDH1A1MEN1KMT2AHTT
SCHEMBL10927176 0.81 LTA4H (0.41) SMN1; SMN2LMNAMEN1KMT2ALTA4H
SCHEMBL10925925 0.80 MAPT (0.41) SMN1; SMN2LMNAMEN1KMT2ALTA4H
SCHEMBL10922342 0.79 LTA4H (0.39) SMN1; SMN2MEN1KMT2ALTA4HHTT
SCHEMBL10992292 0.78 ALDH1A1 (0.44) SMN1; SMN2LMNAALDH1A1MEN1KMT2A
SCHEMBL10993952 0.73 SMN1; SMN2 (0.48) SMN1; SMN2LMNAALDH1A1MEN1KMT2A
Fumaric Acid SCHEMBL10926982 0.72 NPC1 (0.40) LMNAALDH1A1MEN1KMT2AHTT
Maleic Acid SCHEMBL10926977 0.72 NPC1 (0.40) LMNAALDH1A1MEN1KMT2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4562186-A HYPOTENSIVE, ANALGESICS, AND ANTIINFLAMMATORY AGENTS HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1985-12-31 — — US claimed
EP-0189080-A2 (1,2,4-Oxadiazol-3-YL)-arylmethanones, a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1986-07-30 — — EP disclosed
US-4562186-A HYPOTENSIVE, ANALGESICS, AND ANTIINFLAMMATORY AGENTS HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1985-12-31 — — US disclosed
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